1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid

C16H22N2O3 — CID 115436319

IUPAC1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESN[C@@H](C(=O)NCC1(C(=O)O)CCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c17-13(12-7-3-1-4-8-12)14(19)18-11-16(15(20)21)9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,17H2,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyAIHROPWRPIMUAP-CYBMUJFWSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds5

About 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436319) 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]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436319
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESN[C@@H](C(=O)NCC1(C(=O)O)CCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c17-13(12-7-3-1-4-8-12)14(19)18-11-16(15(20)21)9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,17H2,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyAIHROPWRPIMUAP-CYBMUJFWSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
1-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444446
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
1-[[(3-amino-2-methyl-3-phenylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445799
1-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436333
1-[[(2-ethoxy-2-phenylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543746
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
1-[[(2-aminophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436780
(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65120039
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 115436319) is 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid is N[C@@H](C(=O)NCC1(C(=O)O)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AIHROPWRPIMUAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13(12-7-3-1-4-8-12)14(19)18-11-16(15(20)21)9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,17H2,(H,18,19)(H,20,21)/t13-/m1/s1.
What are the key properties of 1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 5 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]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).