4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide

C11H21N3O2 — CID 62670323

IUPAC4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
SMILESCC(CN)C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-7(6-12)11(16)14-9-4-2-8(3-5-9)10(13)15/h7-9H,2-6,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyPGIUKFXJHFSRER-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.26
Rot. Bonds4

About 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide

4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide (PubChem CID 62670323) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
PubChem CID62670323
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
SMILESCC(CN)C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O2/c1-7(6-12)11(16)14-9-4-2-8(3-5-9)10(13)15/h7-9H,2-6,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyPGIUKFXJHFSRER-UHFFFAOYSA-N
XLogP-0.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
CID 80542023
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319384
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383
4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
CID 62854482
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
CID 61044220
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
CID 54914283
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide (CID 62670323) is 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide is CC(CN)C(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide?
The InChIKey is PGIUKFXJHFSRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(6-12)11(16)14-9-4-2-8(3-5-9)10(13)15/h7-9H,2-6,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide?
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 62670323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).