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

C14H17ClN2O3 — CID 107316086

IUPAC(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
SMILESO=C(NCCC1CC1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-4-2-1-3-10(11)12(13(18)19)17-14(20)16-8-7-9-5-6-9/h1-4,9,12H,5-8H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyUBIHPYFSRPHQPU-GFCCVEGCSA-N
MW296.75 g/mol
LogP2.57
Rot. Bonds6

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

(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid (PubChem CID 107316086) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
PubChem CID107316086
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
SMILESO=C(NCCC1CC1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-4-2-1-3-10(11)12(13(18)19)17-14(20)16-8-7-9-5-6-9/h1-4,9,12H,5-8H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyUBIHPYFSRPHQPU-GFCCVEGCSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
CID 107314887
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
(2R)-2-(2-chlorophenyl)-2-(3-methylsulfinylpropylcarbamoylamino)acetic acid
CID 107316149
2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
CID 61002560
(2R)-2-(2-chlorophenyl)-2-(4-methoxybutylcarbamoylamino)acetic acid
CID 107316037
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
CID 107316107
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315338
(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid
CID 107316106
(2R)-2-(2-chlorophenyl)-2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetic acid
CID 107316096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid (CID 107316086) is (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid is O=C(NCCC1CC1)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid?
The InChIKey is UBIHPYFSRPHQPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-4-2-1-3-10(11)12(13(18)19)17-14(20)16-8-7-9-5-6-9/h1-4,9,12H,5-8H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid has a molecular weight of 296.75 g/mol, XLogP of 2.57, 6 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-(2-cyclopropylethylcarbamoylamino)acetic acid is sourced from PubChem (CID 107316086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).