N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide

C14H25N3O2 — CID 119453661

IUPACN-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1CCNC1)NC(=O)C1CCCC1
InChIInChI=1S/C14H25N3O2/c1-10(16-14(19)11-4-2-3-5-11)8-13(18)17-12-6-7-15-9-12/h10-12,15H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHVTGPCCZWXYSRO-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.55
Rot. Bonds5

About N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide

N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide (PubChem CID 119453661) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
PubChem CID119453661
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1CCNC1)NC(=O)C1CCCC1
InChIInChI=1S/C14H25N3O2/c1-10(16-14(19)11-4-2-3-5-11)8-13(18)17-12-6-7-15-9-12/h10-12,15H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHVTGPCCZWXYSRO-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119534348
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119554091
N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 97086410
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119532690
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-pyrrolidin-3-ylpropanamide
CID 18337238

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide (CID 119453661) is N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide is CC(CC(=O)NC1CCNC1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide?
The InChIKey is HVTGPCCZWXYSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(16-14(19)11-4-2-3-5-11)8-13(18)17-12-6-7-15-9-12/h10-12,15H,2-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide?
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 119453661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).