2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide

C11H22N2O2 — CID 107221301

IUPAC2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
SMILESCC[C@H](CO)NC(=O)C1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-2-9(7-14)13-11(15)10-5-3-4-8(10)6-12/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10?/m1/s1
InChIKeyPFSDGHJVDMIEOK-HWOCKDDLSA-N
MW214.31 g/mol
LogP0.25
Rot. Bonds5

About 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide (PubChem CID 107221301) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
PubChem CID107221301
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
SMILESCC[C@H](CO)NC(=O)C1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-2-9(7-14)13-11(15)10-5-3-4-8(10)6-12/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10?/m1/s1
InChIKeyPFSDGHJVDMIEOK-HWOCKDDLSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
2-(aminomethyl)-N-pent-4-yn-2-ylcyclopentane-1-carboxamide
CID 115976493
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103920219
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclopentane-1-carboxamide
CID 102906008
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
trans-(1R,2S)-2-(aminomethyl)-N-(2-methylcyclopropyl)cyclopentane-1-carboxamide
CID 130760150

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide (CID 107221301) is 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide is CC[C@H](CO)NC(=O)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is PFSDGHJVDMIEOK-HWOCKDDLSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-9(7-14)13-11(15)10-5-3-4-8(10)6-12/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t8?,9-,10?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 107221301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).