(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid

C9H7ClN2O2 — CID 130701472

IUPAC(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
SMILESN#Cc1cccc([C@@H](N)C(=O)O)c1Cl
InChIInChI=1S/C9H7ClN2O2/c10-7-5(4-11)2-1-3-6(7)8(12)9(13)14/h1-3,8H,12H2,(H,13,14)/t8-/m1/s1
InChIKeyUHUBTSJOXATHPG-MRVPVSSYSA-N
MW210.62 g/mol
LogP1.30
Rot. Bonds2

About (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid

(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid (PubChem CID 130701472) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
PubChem CID130701472
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
SMILESN#Cc1cccc([C@@H](N)C(=O)O)c1Cl
InChIInChI=1S/C9H7ClN2O2/c10-7-5(4-11)2-1-3-6(7)8(12)9(13)14/h1-3,8H,12H2,(H,13,14)/t8-/m1/s1
InChIKeyUHUBTSJOXATHPG-MRVPVSSYSA-N
XLogP1.30
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid
CID 130664455
acetic acid;2,3-dichlorobenzonitrile
CID 175302579
3-[(1R)-1-amino-2-methoxyethyl]-2-chlorobenzonitrile
CID 131151165
2-(1-amino-2-oxopropyl)benzonitrile
CID 55294703
2-amino-2-(2-cyano-3-pyridinyl)acetic acid
CID 83874641
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
CID 55272286
methyl (2S)-2-amino-2-(2-cyanophenyl)acetate
CID 130692626
(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
CID 130641092
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
2-amino-2-[2-chloro-3-(2-methylprop-2-enoxy)phenyl]acetic acid
CID 117392247
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid (CID 130701472) is (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid is N#Cc1cccc([C@@H](N)C(=O)O)c1Cl.
What is the InChIKey of (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid?
The InChIKey is UHUBTSJOXATHPG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-5(4-11)2-1-3-6(7)8(12)9(13)14/h1-3,8H,12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid?
(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid has a molecular weight of 210.62 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid is sourced from PubChem (CID 130701472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).