1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C19H29N3O2 — CID 95969050

IUPAC1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(N[C@@H]1CCN(CC2CCCC2)C1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H29N3O2/c23-14-18(16-8-2-1-3-9-16)21-19(24)20-17-10-11-22(13-17)12-15-6-4-5-7-15/h1-3,8-9,15,17-18,23H,4-7,10-14H2,(H2,20,21,24)/t17-,18-/m1/s1
InChIKeyGWGQDVGKPNNNOR-QZTJIDSGSA-N
MW331.46 g/mol
LogP2.28
Rot. Bonds6

About 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 95969050) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID95969050
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(N[C@@H]1CCN(CC2CCCC2)C1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H29N3O2/c23-14-18(16-8-2-1-3-9-16)21-19(24)20-17-10-11-22(13-17)12-15-6-4-5-7-15/h1-3,8-9,15,17-18,23H,4-7,10-14H2,(H2,20,21,24)/t17-,18-/m1/s1
InChIKeyGWGQDVGKPNNNOR-QZTJIDSGSA-N
XLogP2.28
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea with MolForge

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Related Compounds

1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111508924
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(6-hydroxy-5-methylhexan-3-yl)urea
CID 75494433
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
CID 109390055
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
2-(cyclopentylamino)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184083

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 95969050) is 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is O=C(N[C@@H]1CCN(CC2CCCC2)C1)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is GWGQDVGKPNNNOR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-14-18(16-8-2-1-3-9-16)21-19(24)20-17-10-11-22(13-17)12-15-6-4-5-7-15/h1-3,8-9,15,17-18,23H,4-7,10-14H2,(H2,20,21,24)/t17-,18-/m1/s1.
What are the key properties of 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 95969050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).