1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid

C16H22N2O3 — CID 61295031

IUPAC1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)[C@H](N)c2ccccc2)(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-11-6-5-9-16(10-11,15(20)21)18-14(19)13(17)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,17H2,1H3,(H,18,19)(H,20,21)/t11?,13-,16?/m1/s1
InChIKeyCDVFDUXFKDFUFN-RYCVTPFZSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds4

About 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid

1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61295031) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61295031
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)[C@H](N)c2ccccc2)(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-11-6-5-9-16(10-11,15(20)21)18-14(19)13(17)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,17H2,1H3,(H,18,19)(H,20,21)/t11?,13-,16?/m1/s1
InChIKeyCDVFDUXFKDFUFN-RYCVTPFZSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
CID 104898019
1-[(2-amino-3-methylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61293194
1-[(2-amino-3,3-dimethylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 76897664
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 22327448
3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
CID 104897993
2-amino-N-(1-methylcyclopropyl)-2-phenylacetamide
CID 115747036
1-[(3,5-dibromobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 107971328
1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43809184
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
4-methyl-1-[[(2S)-2-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 120688295

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid (CID 61295031) is 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)[C@H](N)c2ccccc2)(C(=O)O)C1.
What is the InChIKey of 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is CDVFDUXFKDFUFN-RYCVTPFZSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-5-9-16(10-11,15(20)21)18-14(19)13(17)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10,17H2,1H3,(H,18,19)(H,20,21)/t11?,13-,16?/m1/s1.
What are the key properties of 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61295031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).