5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid

C20H29N3O3 — CID 166655194

IUPAC5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
SMILESCC[C@@H]1C[C@H]1NC1COC2(CCN(Cc3ccc(C(=O)O)nc3)CC2)C1
InChIInChI=1S/C20H29N3O3/c1-2-15-9-18(15)22-16-10-20(26-13-16)5-7-23(8-6-20)12-14-3-4-17(19(24)25)21-11-14/h3-4,11,15-16,18,22H,2,5-10,12-13H2,1H3,(H,24,25)/t15-,16?,18-/m1/s1
InChIKeyMAHAOTQPPNPHJI-IFJNFQAOSA-N
MW359.47 g/mol
LogP2.29
Rot. Bonds6

About 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid

5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 166655194) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
PubChem CID166655194
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
SMILESCC[C@@H]1C[C@H]1NC1COC2(CCN(Cc3ccc(C(=O)O)nc3)CC2)C1
InChIInChI=1S/C20H29N3O3/c1-2-15-9-18(15)22-16-10-20(26-13-16)5-7-23(8-6-20)12-14-3-4-17(19(24)25)21-11-14/h3-4,11,15-16,18,22H,2,5-10,12-13H2,1H3,(H,24,25)/t15-,16?,18-/m1/s1
InChIKeyMAHAOTQPPNPHJI-IFJNFQAOSA-N
XLogP2.29
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]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

5-[[3-[[(1S)-1-phenylpropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
CID 166654987
8-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 166654998
4-[[3-[[(2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzamide
CID 163704417
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
6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
CID 146475853
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]pyridine-2-carboxylic acid;dihydrochloride
CID 122641315
N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487879
2-methyl-N-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118745549
N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487885
5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxylic acid
CID 169139909
5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
CID 117213210
N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 146475898

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid (CID 166655194) is 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid is CC[C@@H]1C[C@H]1NC1COC2(CCN(Cc3ccc(C(=O)O)nc3)CC2)C1.
What is the InChIKey of 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is MAHAOTQPPNPHJI-IFJNFQAOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-15-9-18(15)22-16-10-20(26-13-16)5-7-23(8-6-20)12-14-3-4-17(19(24)25)21-11-14/h3-4,11,15-16,18,22H,2,5-10,12-13H2,1H3,(H,24,25)/t15-,16?,18-/m1/s1.
What are the key properties of 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid?
5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 166655194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).