(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid

C14H17ClN2O3 — CID 107314892

IUPAC(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
SMILESO=C(NC1CCCC1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-8-4-3-7-10(11)12(13(18)19)17-14(20)16-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyAAPTWKNMRDCMIV-GFCCVEGCSA-N
MW296.75 g/mol
LogP2.71
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid (PubChem CID 107314892) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
PubChem CID107314892
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
SMILESO=C(NC1CCCC1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-8-4-3-7-10(11)12(13(18)19)17-14(20)16-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyAAPTWKNMRDCMIV-GFCCVEGCSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
CID 107316107
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
CID 107316086
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315338
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 100744634
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107316001
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
CID 61402999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid (CID 107314892) is (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid is O=C(NC1CCCC1)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid?
The InChIKey is AAPTWKNMRDCMIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-8-4-3-7-10(11)12(13(18)19)17-14(20)16-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid has a molecular weight of 296.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid is sourced from PubChem (CID 107314892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).