(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid

C16H22N2O3 — CID 61197265

IUPAC(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCC1CCCCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(20)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,19,20)(H2,17,18,21)/t14-/m1/s1
InChIKeyXAFNEXNSWUDOJN-CQSZACIVSA-N
MW290.36 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid

(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid (PubChem CID 61197265) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
PubChem CID61197265
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCC1CCCCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(20)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,19,20)(H2,17,18,21)/t14-/m1/s1
InChIKeyXAFNEXNSWUDOJN-CQSZACIVSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
(2S)-2-phenyl-2-(thiolan-3-ylmethylcarbamoylamino)acetic acid
CID 107297590
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide
CID 24874558
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
CID 18472816
(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
CID 61402999
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid (CID 61197265) is (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid is O=C(NCC1CCCCC1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is XAFNEXNSWUDOJN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(20)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,19,20)(H2,17,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid?
(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61197265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).