4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid

C152H180N16O16 — CID 164961469

IUPAC4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CCN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.O=C(O)c1ccc2cc(CN3CCC4(CC3)CC(N[C@@H]3C[C@H]3c3ccccc3)CO4)ccc2c1.O=C(O)c1cnc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1
InChIInChI=1S/C29H32N2O3.C26H32N2O3.C25H29N3O.C25H30N2O3.C24H29N3O3.C23H28N4O3/c32-28(33)24-9-8-22-14-20(6-7-23(22)15-24)18-31-12-10-29(11-13-31)17-25(19-34-29)30-27-16-26(27)21-4-2-1-3-5-21;29-25(30)21-8-6-19(7-9-21)10-13-28-14-11-26(12-15-28)17-22(18-31-26)27-24-16-23(24)20-4-2-1-3-5-20;26-16-19-6-8-20(9-7-19)17-28-12-10-25(11-13-28)15-22(18-29-25)27-24-14-23(24)21-4-2-1-3-5-21;28-24(29)20-8-6-18(7-9-20)16-27-12-10-25(11-13-27)15-21(17-30-25)26-23-14-22(23)19-4-2-1-3-5-19;28-23(29)21-7-6-17(14-25-21)15-27-10-8-24(9-11-27)13-19(16-30-24)26-22-12-20(22)18-4-2-1-3-5-18;28-22(29)21-13-24-18(12-25-21)14-27-8-6-23(7-9-27)11-17(15-30-23)26-20-10-19(20)16-4-2-1-3-5-16/h1-9,14-15,25-27,30H,10-13,16-19H2,(H,32,33);1-9,22-24,27H,10-18H2,(H,29,30);1-9,22-24,27H,10-15,17-18H2;1-9,21-23,26H,10-17H2,(H,28,29);1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29);1-5,12-13,17,19-20,26H,6-11,14-15H2,(H,28,29)/t25?,26-,27+;2*22?,23-,24+;21?,22-,23+;19?,20-,22+;17?,19-,20+/m000000/s1
InChIKeyBXAYEJVQRHYGIF-OYUSIWQKSA-N
MW2487.21 g/mol
LogP21.48
Rot. Bonds36

About 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid

4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 164961469) has the molecular formula C152H180N16O16 and a molecular weight of 2487.21 g/mol. Its IUPAC name is 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
PubChem CID164961469
Molecular FormulaC152H180N16O16
Molecular Weight2487.21 g/mol
Exact Mass2485.38
IUPAC Name4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CCN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.O=C(O)c1ccc2cc(CN3CCC4(CC3)CC(N[C@@H]3C[C@H]3c3ccccc3)CO4)ccc2c1.O=C(O)c1cnc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1
InChIInChI=1S/C29H32N2O3.C26H32N2O3.C25H29N3O.C25H30N2O3.C24H29N3O3.C23H28N4O3/c32-28(33)24-9-8-22-14-20(6-7-23(22)15-24)18-31-12-10-29(11-13-31)17-25(19-34-29)30-27-16-26(27)21-4-2-1-3-5-21;29-25(30)21-8-6-19(7-9-21)10-13-28-14-11-26(12-15-28)17-22(18-31-26)27-24-16-23(24)20-4-2-1-3-5-20;26-16-19-6-8-20(9-7-19)17-28-12-10-25(11-13-28)15-22(18-29-25)27-24-14-23(24)21-4-2-1-3-5-21;28-24(29)20-8-6-18(7-9-20)16-27-12-10-25(11-13-27)15-21(17-30-25)26-23-14-22(23)19-4-2-1-3-5-19;28-23(29)21-7-6-17(14-25-21)15-27-10-8-24(9-11-27)13-19(16-30-24)26-22-12-20(22)18-4-2-1-3-5-18;28-22(29)21-13-24-18(12-25-21)14-27-8-6-23(7-9-27)11-17(15-30-23)26-20-10-19(20)16-4-2-1-3-5-16/h1-9,14-15,25-27,30H,10-13,16-19H2,(H,32,33);1-9,22-24,27H,10-18H2,(H,29,30);1-9,22-24,27H,10-15,17-18H2;1-9,21-23,26H,10-17H2,(H,28,29);1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29);1-5,12-13,17,19-20,26H,6-11,14-15H2,(H,28,29)/t25?,26-,27+;2*22?,23-,24+;21?,22-,23+;19?,20-,22+;17?,19-,20+/m000000/s1
InChIKeyBXAYEJVQRHYGIF-OYUSIWQKSA-N
XLogP21.48
TPSA395.96 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002487.21
LogP ≤ 521.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[3-[[(2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzamide
CID 163704417
5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
CID 166655194
6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
CID 146475853
4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]amino]benzoic acid;3-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-7-azaspiro[3.5]nonan-7-yl]methyl]benzoic acid;4-[[8-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methyl]benzoic acid;4-[[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-oxa-2-azaspiro[3.4]octan-2-yl]methyl]benzoic acid
CID 164996200
5-[[3-[[(1S)-1-phenylpropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
CID 166654987
5-(4-benzylbenzoyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 122486199
N-[(4S)-9-[(4-cyanophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897002
4-[[4-[2-[5-[(4-benzylphenyl)methyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073267
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(2-phenylpropan-2-yl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710761
8-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 166654998
8-(2-phenylethyl)-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155847491
N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
CID 129098249

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid (CID 164961469) is 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid is N#Cc1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CCN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cc1.O=C(O)c1ccc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.O=C(O)c1ccc2cc(CN3CCC4(CC3)CC(N[C@@H]3C[C@H]3c3ccccc3)CO4)ccc2c1.O=C(O)c1cnc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.
What is the InChIKey of 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is BXAYEJVQRHYGIF-OYUSIWQKSA-N. The full InChI is InChI=1S/C29H32N2O3.C26H32N2O3.C25H29N3O.C25H30N2O3.C24H29N3O3.C23H28N4O3/c32-28(33)24-9-8-22-14-20(6-7-23(22)15-24)18-31-12-10-29(11-13-31)17-25(19-34-29)30-27-16-26(27)21-4-2-1-3-5-21;29-25(30)21-8-6-19(7-9-21)10-13-28-14-11-26(12-15-28)17-22(18-31-26)27-24-16-23(24)20-4-2-1-3-5-20;26-16-19-6-8-20(9-7-19)17-28-12-10-25(11-13-28)15-22(18-29-25)27-24-14-23(24)21-4-2-1-3-5-21;28-24(29)20-8-6-18(7-9-20)16-27-12-10-25(11-13-27)15-21(17-30-25)26-23-14-22(23)19-4-2-1-3-5-19;28-23(29)21-7-6-17(14-25-21)15-27-10-8-24(9-11-27)13-19(16-30-24)26-22-12-20(22)18-4-2-1-3-5-18;28-22(29)21-13-24-18(12-25-21)14-27-8-6-23(7-9-27)11-17(15-30-23)26-20-10-19(20)16-4-2-1-3-5-16/h1-9,14-15,25-27,30H,10-13,16-19H2,(H,32,33);1-9,22-24,27H,10-18H2,(H,29,30);1-9,22-24,27H,10-15,17-18H2;1-9,21-23,26H,10-17H2,(H,28,29);1-7,14,19-20,22,26H,8-13,15-16H2,(H,28,29);1-5,12-13,17,19-20,26H,6-11,14-15H2,(H,28,29)/t25?,26-,27+;2*22?,23-,24+;21?,22-,23+;19?,20-,22+;17?,19-,20+/m000000/s1.
What are the key properties of 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 2487.21 g/mol, XLogP of 21.48, 36 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzoic acid;4-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 164961469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).