(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid

C13H14ClNO3 — CID 107314543

IUPAC(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
SMILESCC1CC1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c1-7-6-9(7)12(16)15-11(13(17)18)8-4-2-3-5-10(8)14/h2-5,7,9,11H,6H2,1H3,(H,15,16)(H,17,18)/t7?,9?,11-/m1/s1
InChIKeyRUWRLJYBUAHSCB-LKXRVVKTSA-N
MW267.71 g/mol
LogP2.24
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid (PubChem CID 107314543) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
PubChem CID107314543
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
SMILESCC1CC1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c1-7-6-9(7)12(16)15-11(13(17)18)8-4-2-3-5-10(8)14/h2-5,7,9,11H,6H2,1H3,(H,15,16)(H,17,18)/t7?,9?,11-/m1/s1
InChIKeyRUWRLJYBUAHSCB-LKXRVVKTSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-chlorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124736619
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
methyl (3S)-3-(2-chlorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoate
CID 38590811
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-(1,3-thiazolidine-4-carbonylamino)acetic acid
CID 107315327
2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
CID 146236952
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107316001
(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
CID 107316107
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid (CID 107314543) is (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid is CC1CC1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid?
The InChIKey is RUWRLJYBUAHSCB-LKXRVVKTSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-7-6-9(7)12(16)15-11(13(17)18)8-4-2-3-5-10(8)14/h2-5,7,9,11H,6H2,1H3,(H,15,16)(H,17,18)/t7?,9?,11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid has a molecular weight of 267.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 107314543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).