4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119319384

IUPAC4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)C(=O)NC1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-7(2)10(13)12(17)15-9-5-3-8(4-6-9)11(14)16;/h7-10H,3-6,13H2,1-2H3,(H2,14,16)(H,15,17);1H
InChIKeyREFSMXYQONIVOI-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.55
Rot. Bonds4

About 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride

4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119319384) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119319384
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C(N)C(=O)NC1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-7(2)10(13)12(17)15-9-5-3-8(4-6-9)11(14)16;/h7-10H,3-6,13H2,1-2H3,(H2,14,16)(H,15,17);1H
InChIKeyREFSMXYQONIVOI-UHFFFAOYSA-N
XLogP0.55
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297446
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
CID 80542023
4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
CID 62854482
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride (CID 119319384) is 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride is CC(C)C(N)C(=O)NC1CCC(C(N)=O)CC1.Cl.
What is the InChIKey of 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is REFSMXYQONIVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-7(2)10(13)12(17)15-9-5-3-8(4-6-9)11(14)16;/h7-10H,3-6,13H2,1-2H3,(H2,14,16)(H,15,17);1H.
What are the key properties of 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119319384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).