N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

C15H27N3O2 — CID 119634132

IUPACN-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)N1CCCC1CN)NC(=O)C1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(17-15(20)12-5-2-3-6-12)9-14(19)18-8-4-7-13(18)10-16/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyPZSYUOJBEHPDAR-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds5

About N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 119634132) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID119634132
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)N1CCCC1CN)NC(=O)C1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(17-15(20)12-5-2-3-6-12)9-14(19)18-8-4-7-13(18)10-16/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyPZSYUOJBEHPDAR-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119466885
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119437270
(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371105
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
N-[4-(4-aminopiperidin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119373643
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119520379
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119632550
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one
CID 119467507
N-butan-2-ylcyclooctanecarboxamide
CID 65022908

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 119634132) is N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)N1CCCC1CN)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is PZSYUOJBEHPDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(17-15(20)12-5-2-3-6-12)9-14(19)18-8-4-7-13(18)10-16/h11-13H,2-10,16H2,1H3,(H,17,20).
What are the key properties of N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 119634132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).