(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid

C8H9ClN2O2 — CID 66510542

IUPAC(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
SMILESNc1ccc(Cl)c([C@H](N)C(=O)O)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-2-1-4(10)3-5(6)7(11)8(12)13/h1-3,7H,10-11H2,(H,12,13)/t7-/m0/s1
InChIKeyKYCKBHUJTIMITH-ZETCQYMHSA-N
MW200.63 g/mol
LogP1.01
Rot. Bonds2

About (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid

(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid (PubChem CID 66510542) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
PubChem CID66510542
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
SMILESNc1ccc(Cl)c([C@H](N)C(=O)O)c1
InChIInChI=1S/C8H9ClN2O2/c9-6-2-1-4(10)3-5(6)7(11)8(12)13/h1-3,7H,10-11H2,(H,12,13)/t7-/m0/s1
InChIKeyKYCKBHUJTIMITH-ZETCQYMHSA-N
XLogP1.01
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
(3S)-3-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130664329
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-amino-2-(4-amino-2-fluorophenyl)acetic acid
CID 77128000
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130690220
2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid
CID 84785718
3-(1-amino-2-methylpropyl)-4-chloroaniline
CID 55272175
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
5-[(S)-amino(carboxy)methyl]-2-chlorobenzoic acid
CID 66512999
1-(5-amino-2-chlorophenyl)-3-chloropropane-1,2-diol
CID 171861726

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid (CID 66510542) is (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid is Nc1ccc(Cl)c([C@H](N)C(=O)O)c1.
What is the InChIKey of (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid?
The InChIKey is KYCKBHUJTIMITH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-2-1-4(10)3-5(6)7(11)8(12)13/h1-3,7H,10-11H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid?
(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid has a molecular weight of 200.63 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid is sourced from PubChem (CID 66510542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).