(1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide

C21H27N3O3 — CID 166348566

IUPAC(1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(N1C[C@@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1)C1(Nc2ccccc2)CC1
InChIInChI=1S/C21H27N3O3/c25-17-13-24(12-16(17)22-18(26)20-8-4-5-14(20)11-20)19(27)21(9-10-21)23-15-6-2-1-3-7-15/h1-3,6-7,14,16-17,23,25H,4-5,8-13H2,(H,22,26)/t14-,16-,17-,20-/m1/s1
InChIKeyCIBCBRMNZWJNNK-WVSUBDOOSA-N
MW369.47 g/mol
LogP1.51
Rot. Bonds5

About (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide

(1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 166348566) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide
PubChem CID166348566
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(N1C[C@@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1)C1(Nc2ccccc2)CC1
InChIInChI=1S/C21H27N3O3/c25-17-13-24(12-16(17)22-18(26)20-8-4-5-14(20)11-20)19(27)21(9-10-21)23-15-6-2-1-3-7-15/h1-3,6-7,14,16-17,23,25H,4-5,8-13H2,(H,22,26)/t14-,16-,17-,20-/m1/s1
InChIKeyCIBCBRMNZWJNNK-WVSUBDOOSA-N
XLogP1.51
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide with MolForge

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Related Compounds

(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 166781988
1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 126839947
N-[3-(bromomethyl)cyclobutyl]bicyclo[3.1.0]hexane-1-carboxamide
CID 164654286
1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea
CID 6487848
(3aS,6aR)-2-[[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122013625
4a-hydroxy-N-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 81103476
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013
(3aS,6aR)-2-(naphthalen-2-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073556
[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155878699
(3aS,6aR)-2-[1-(phenylcarbamoyl)piperidine-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681943
(3aS,6aR)-2-[(2-methylsulfonylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122075163

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide (CID 166348566) is (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide is O=C(N1C[C@@H](O)[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1)C1(Nc2ccccc2)CC1.
What is the InChIKey of (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is CIBCBRMNZWJNNK-WVSUBDOOSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-17-13-24(12-16(17)22-18(26)20-8-4-5-14(20)11-20)19(27)21(9-10-21)23-15-6-2-1-3-7-15/h1-3,6-7,14,16-17,23,25H,4-5,8-13H2,(H,22,26)/t14-,16-,17-,20-/m1/s1.
What are the key properties of (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide?
(1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-[(3R,4R)-1-(1-anilinocyclopropanecarbonyl)-4-hydroxypyrrolidin-3-yl]bicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 166348566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).