1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid

C12H22N2O3 — CID 64676761

IUPAC1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(N)CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-11(2,13)8-9(15)14-12(10(16)17)6-4-3-5-7-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyPJKWQRLGXBSGNC-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.02
Rot. Bonds4

About 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid

1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64676761) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64676761
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(N)CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-11(2,13)8-9(15)14-12(10(16)17)6-4-3-5-7-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyPJKWQRLGXBSGNC-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120666261
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
CID 65292201
1-[(2-tert-butylsulfonylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120512776
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 65292395
1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 61158529
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
CID 81161173
3-amino-N-(1-ethylcyclobutyl)-3-methylbutanamide
CID 115739871
1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241928
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid (CID 64676761) is 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)(N)CC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PJKWQRLGXBSGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,13)8-9(15)14-12(10(16)17)6-4-3-5-7-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64676761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).