2-(4-aminobutanoylamino)cyclohexane-1-carboxamide

C11H21N3O2 — CID 119334193

IUPAC2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
SMILESNCCCC(=O)NC1CCCCC1C(N)=O
InChIInChI=1S/C11H21N3O2/c12-7-3-6-10(15)14-9-5-2-1-4-8(9)11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15)
InChIKeyXPYNQZUIZBAUCX-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.11
Rot. Bonds5

About 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide

2-(4-aminobutanoylamino)cyclohexane-1-carboxamide (PubChem CID 119334193) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
PubChem CID119334193
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
SMILESNCCCC(=O)NC1CCCCC1C(N)=O
InChIInChI=1S/C11H21N3O2/c12-7-3-6-10(15)14-9-5-2-1-4-8(9)11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15)
InChIKeyXPYNQZUIZBAUCX-UHFFFAOYSA-N
XLogP-0.11
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide
CID 100756279
2-[(2-methylsulfonylacetyl)amino]cyclohexane-1-carboxamide
CID 175700374
6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
CID 43712731
4-amino-N-(2-aminocyclopropyl)butanamide
CID 131206952
2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
CID 64816609
2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide
CID 71922038
cis-(1R,2S)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
CID 96528414
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-4-aminobutanamide;hydrochloride
CID 119345592

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide (CID 119334193) is 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide is NCCCC(=O)NC1CCCCC1C(N)=O.
What is the InChIKey of 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
The InChIKey is XPYNQZUIZBAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-7-3-6-10(15)14-9-5-2-1-4-8(9)11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15).
What are the key properties of 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 119334193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).