1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea

C14H25N3O2 — CID 95051729

IUPAC1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-14(19)16-12-7-8-17(9-12)13(18)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,15,16,19)/t12-/m1/s1
InChIKeyHNXVPCTYOGTRQI-GFCCVEGCSA-N
MW267.37 g/mol
LogP1.49
Rot. Bonds3

About 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea

1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 95051729) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID95051729
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-14(19)16-12-7-8-17(9-12)13(18)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,15,16,19)/t12-/m1/s1
InChIKeyHNXVPCTYOGTRQI-GFCCVEGCSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821926
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
CID 95051746
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119808791
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
1-tert-butyl-3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 95051744
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea (CID 95051729) is 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is HNXVPCTYOGTRQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)15-14(19)16-12-7-8-17(9-12)13(18)11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,15,16,19)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 267.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 95051729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).