(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid

C16H22N2O3 — CID 61191814

IUPAC(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)N[C@@H](C(=O)O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-18(13-10-6-3-7-11-13)16(21)17-14(15(19)20)12-8-4-2-5-9-12/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,21)(H,19,20)/t14-/m1/s1
InChIKeyVBQSYDOHIOUTPD-CQSZACIVSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds4

About (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid

(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 61191814) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID61191814
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)N[C@@H](C(=O)O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-18(13-10-6-3-7-11-13)16(21)17-14(15(19)20)12-8-4-2-5-9-12/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,21)(H,19,20)/t14-/m1/s1
InChIKeyVBQSYDOHIOUTPD-CQSZACIVSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444873
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
CID 82729817
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444954
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid (CID 61191814) is (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid is CN(C(=O)N[C@@H](C(=O)O)c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is VBQSYDOHIOUTPD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(13-10-6-3-7-11-13)16(21)17-14(15(19)20)12-8-4-2-5-9-12/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 61191814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).