1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea

C17H23N3O3 — CID 124507736

IUPAC1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
SMILESO=C(NCCCO)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C17H23N3O3/c21-8-4-7-18-17(23)19-13-9-16(22)20(11-13)15-10-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15,21H,4,7-11H2,(H2,18,19,23)/t13-,14-,15+/m1/s1
InChIKeyDJCFXADYTMANAF-KFWWJZLASA-N
MW317.39 g/mol
LogP0.82
Rot. Bonds6

About 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea

1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea (PubChem CID 124507736) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
PubChem CID124507736
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
SMILESO=C(NCCCO)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C17H23N3O3/c21-8-4-7-18-17(23)19-13-9-16(22)20(11-13)15-10-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15,21H,4,7-11H2,(H2,18,19,23)/t13-,14-,15+/m1/s1
InChIKeyDJCFXADYTMANAF-KFWWJZLASA-N
XLogP0.82
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-hydroxypropyl)urea
CID 43970296
cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124865903
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea
CID 166231289
3-[[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031637
5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 154841420
2-(2-nitrophenoxy)-N-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]acetamide
CID 95782401
6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122054063
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea (CID 124507736) is 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea is O=C(NCCCO)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea?
The InChIKey is DJCFXADYTMANAF-KFWWJZLASA-N. The full InChI is InChI=1S/C17H23N3O3/c21-8-4-7-18-17(23)19-13-9-16(22)20(11-13)15-10-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15,21H,4,7-11H2,(H2,18,19,23)/t13-,14-,15+/m1/s1.
What are the key properties of 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea?
1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea has a molecular weight of 317.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 124507736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).