(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid

C16H22N2O3 — CID 103995518

IUPAC(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCCC1CCCC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(20)14(13-8-2-1-3-9-13)18-16(21)17-11-10-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2,(H,19,20)(H2,17,18,21)/t14-/m0/s1
InChIKeyWBTUNWPTSWOULO-AWEZNQCLSA-N
MW290.36 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid

(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid (PubChem CID 103995518) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
PubChem CID103995518
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCCC1CCCC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(20)14(13-8-2-1-3-9-13)18-16(21)17-11-10-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2,(H,19,20)(H2,17,18,21)/t14-/m0/s1
InChIKeyWBTUNWPTSWOULO-AWEZNQCLSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
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

(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
CID 107316086
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2R)-2-(but-3-enylcarbamoylamino)-2-phenylacetic acid
CID 113465864
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid (CID 103995518) is (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid is O=C(NCCC1CCCC1)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is WBTUNWPTSWOULO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(20)14(13-8-2-1-3-9-13)18-16(21)17-11-10-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2,(H,19,20)(H2,17,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid?
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 103995518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).