(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C17H19N3O4 — CID 118764186

IUPAC(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C1c2ccc(NC(=O)N3CCC[C@H]3CO)cc2C(=O)N1C1CC1
InChIInChI=1S/C17H19N3O4/c21-9-12-2-1-7-19(12)17(24)18-10-3-6-13-14(8-10)16(23)20(15(13)22)11-4-5-11/h3,6,8,11-12,21H,1-2,4-5,7,9H2,(H,18,24)/t12-/m0/s1
InChIKeyMWRVZTQBLGZHET-LBPRGKRZSA-N
MW329.36 g/mol
LogP1.43
Rot. Bonds3

About (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 118764186) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID118764186
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C1c2ccc(NC(=O)N3CCC[C@H]3CO)cc2C(=O)N1C1CC1
InChIInChI=1S/C17H19N3O4/c21-9-12-2-1-7-19(12)17(24)18-10-3-6-13-14(8-10)16(23)20(15(13)22)11-4-5-11/h3,6,8,11-12,21H,1-2,4-5,7,9H2,(H,18,24)/t12-/m0/s1
InChIKeyMWRVZTQBLGZHET-LBPRGKRZSA-N
XLogP1.43
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)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

4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
(2R)-N-(4-bromo-3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75468005
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104560
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
2-(hydroxymethyl)-N-(3-methyl-4-nitrophenyl)pyrrolidine-1-carboxamide
CID 86796871
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
CID 125168729

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 118764186) is (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C1c2ccc(NC(=O)N3CCC[C@H]3CO)cc2C(=O)N1C1CC1.
What is the InChIKey of (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is MWRVZTQBLGZHET-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-9-12-2-1-7-19(12)17(24)18-10-3-6-13-14(8-10)16(23)20(15(13)22)11-4-5-11/h3,6,8,11-12,21H,1-2,4-5,7,9H2,(H,18,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118764186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).