(2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid

C8H8Cl2N2O2 — CID 66513030

IUPAC(2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid
SMILESNc1c(Cl)cc(Cl)cc1[C@H](N)C(=O)O
InChIInChI=1S/C8H8Cl2N2O2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,11-12H2,(H,13,14)/t7-/m0/s1
InChIKeySDLXVQUQMUFHEE-ZETCQYMHSA-N
MW235.07 g/mol
LogP1.66
Rot. Bonds2

About (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid

(2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid (PubChem CID 66513030) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid
PubChem CID66513030
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name(2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid
SMILESNc1c(Cl)cc(Cl)cc1[C@H](N)C(=O)O
InChIInChI=1S/C8H8Cl2N2O2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,11-12H2,(H,13,14)/t7-/m0/s1
InChIKeySDLXVQUQMUFHEE-ZETCQYMHSA-N
XLogP1.66
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.66
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

2-amino-2-(3,5-dichlorophenyl)acetic Acid
CID 3416310
Ethyl 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetate
CID 101780191
2-Amino-3-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-propionic acid-hydrochloride
CID 22184553
2-(2-Amino-3-chlorophenyl)-2,2-difluoroacetic acid
CID 166132500
Azanium 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetate
CID 166132502
2-(2-Amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane
CID 174219272
7-Chloro-dehydrotryptophan
CID 129853228
(2S)-2-amino-2-(4-amino-5-chloro-2-fluorophenyl)acetic acid
CID 66512459
(2S)-2-amino-2-(4-amino-3-chloro-5-fluorophenyl)acetic acid
CID 66512460
(2S)-2-amino-2-(2-amino-5-chloro-3-fluorophenyl)acetic acid
CID 66512474
(2S)-2-amino-2-(2-amino-3-chloro-5-fluorophenyl)acetic acid
CID 66512475
(2S)-2-amino-2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]acetic acid
CID 66513478

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid (CID 66513030) is (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid is Nc1c(Cl)cc(Cl)cc1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid?
The InChIKey is SDLXVQUQMUFHEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,11-12H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid?
(2S)-2-amino-2-(2-amino-3,5-dichlorophenyl)acetic acid has a molecular weight of 235.07 g/mol, XLogP of 1.66, 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-(2-amino-3,5-dichlorophenyl)acetic acid is sourced from PubChem (CID 66513030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).