(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide

C10H18N2O — CID 131134696

IUPAC(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
SMILESCC1(CNC(=O)[C@H]2CCNC2)CC1
InChIInChI=1S/C10H18N2O/c1-10(3-4-10)7-12-9(13)8-2-5-11-6-8/h8,11H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyWHANFTAHJNFQQK-QMMMGPOBSA-N
MW182.27 g/mol
LogP0.51
Rot. Bonds3

About (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide

(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 131134696) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
PubChem CID131134696
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
SMILESCC1(CNC(=O)[C@H]2CCNC2)CC1
InChIInChI=1S/C10H18N2O/c1-10(3-4-10)7-12-9(13)8-2-5-11-6-8/h8,11H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyWHANFTAHJNFQQK-QMMMGPOBSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 104872740
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide
CID 91660383
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride
CID 91660382
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
CID 81133718
N-[(4-methylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 113400555
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide (CID 131134696) is (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide is CC1(CNC(=O)[C@H]2CCNC2)CC1.
What is the InChIKey of (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is WHANFTAHJNFQQK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(3-4-10)7-12-9(13)8-2-5-11-6-8/h8,11H,2-7H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide?
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 131134696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).