(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid

C12H21NO3 — CID 107175360

IUPAC(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(11(15)16)13-10(14)9-6-4-5-7-12(9,2)3/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyUCSBMLUKESTKLI-VEDVMXKPSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds3

About (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid

(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid (PubChem CID 107175360) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
PubChem CID107175360
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(11(15)16)13-10(14)9-6-4-5-7-12(9,2)3/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyUCSBMLUKESTKLI-VEDVMXKPSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 107178837
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180427
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184708
N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107859802
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 107175022
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920362
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 107175397
3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 112734984

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid (CID 107175360) is (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid is C[C@@H](NC(=O)C1CCCCC1(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid?
The InChIKey is UCSBMLUKESTKLI-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(11(15)16)13-10(14)9-6-4-5-7-12(9,2)3/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid?
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 107175360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).