(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide

C17H24N2O3 — CID 75464751

IUPAC(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)N3CCC[C@H]3CO)CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-22-15-6-4-13(5-7-15)17(8-9-17)12-18-16(21)19-10-2-3-14(19)11-20/h4-7,14,20H,2-3,8-12H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeySTHUCKYZCUVVFP-AWEZNQCLSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds5

About (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 75464751) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
PubChem CID75464751
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)N3CCC[C@H]3CO)CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-22-15-6-4-13(5-7-15)17(8-9-17)12-18-16(21)19-10-2-3-14(19)11-20/h4-7,14,20H,2-3,8-12H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeySTHUCKYZCUVVFP-AWEZNQCLSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide 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

(2S)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427973
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
(2R)-2-(hydroxymethyl)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111619348
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 139004178
4-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214041
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 113214657
(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 126428815

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide (CID 75464751) is (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide is COc1ccc(C2(CNC(=O)N3CCC[C@H]3CO)CC2)cc1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is STHUCKYZCUVVFP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-15-6-4-13(5-7-15)17(8-9-17)12-18-16(21)19-10-2-3-14(19)11-20/h4-7,14,20H,2-3,8-12H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75464751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).