[(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid

C18H24N4O4 — CID 138706418

IUPAC[(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid
SMILESCOc1cc2c(cn1)NC(=O)C21CCC(N2CC[C@H](NC(=O)O)C2)CC1
InChIInChI=1S/C18H24N4O4/c1-26-15-8-13-14(9-19-15)21-16(23)18(13)5-2-12(3-6-18)22-7-4-11(10-22)20-17(24)25/h8-9,11-12,20H,2-7,10H2,1H3,(H,21,23)(H,24,25)/t11-,12?,18?/m0/s1
InChIKeyZCJPATRKPXJOTM-OMTHAAKESA-N
MW360.41 g/mol
LogP1.56
Rot. Bonds3

About [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid

[(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 138706418) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID138706418
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name[(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid
SMILESCOc1cc2c(cn1)NC(=O)C21CCC(N2CC[C@H](NC(=O)O)C2)CC1
InChIInChI=1S/C18H24N4O4/c1-26-15-8-13-14(9-19-15)21-16(23)18(13)5-2-12(3-6-18)22-7-4-11(10-22)20-17(24)25/h8-9,11-12,20H,2-7,10H2,1H3,(H,21,23)(H,24,25)/t11-,12?,18?/m0/s1
InChIKeyZCJPATRKPXJOTM-OMTHAAKESA-N
XLogP1.56
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamate
CID 134439013
ethyl-[(3S)-1-(5-methoxy-2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid
CID 166721034
4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 166730181
ethyl 2-[(3R)-1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]acetate
CID 148646150
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266
5-chloro-4'-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
CID 161162548
ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate
CID 134439134
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097146
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163295966
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11527661
ethyl-[(3S)-1-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid
CID 166721048

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid (CID 138706418) is [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid is COc1cc2c(cn1)NC(=O)C21CCC(N2CC[C@H](NC(=O)O)C2)CC1.
What is the InChIKey of [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is ZCJPATRKPXJOTM-OMTHAAKESA-N. The full InChI is InChI=1S/C18H24N4O4/c1-26-15-8-13-14(9-19-15)21-16(23)18(13)5-2-12(3-6-18)22-7-4-11(10-22)20-17(24)25/h8-9,11-12,20H,2-7,10H2,1H3,(H,21,23)(H,24,25)/t11-,12?,18?/m0/s1.
What are the key properties of [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid?
[(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 360.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 138706418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).