(2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid

C10H10ClNO4 — CID 135203756

IUPAC(2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)c(Cl)c1C=O)C(=O)O
InChIInChI=1S/C10H10ClNO4/c11-9-6(4-13)5(1-2-8(9)14)3-7(12)10(15)16/h1-2,4,7,14H,3,12H2,(H,15,16)/t7-/m0/s1
InChIKeyMUSZNCCXNXSSRN-ZETCQYMHSA-N
MW243.65 g/mol
LogP0.81
Rot. Bonds4

About (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid

(2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid (PubChem CID 135203756) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid
PubChem CID135203756
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name(2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)c(Cl)c1C=O)C(=O)O
InChIInChI=1S/C10H10ClNO4/c11-9-6(4-13)5(1-2-8(9)14)3-7(12)10(15)16/h1-2,4,7,14H,3,12H2,(H,15,16)/t7-/m0/s1
InChIKeyMUSZNCCXNXSSRN-ZETCQYMHSA-N
XLogP0.81
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-amino-3-(3,4-dihydroxy-2-propan-2-ylphenyl)propanoic acid
CID 22326284
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130690220
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(2,3,4,5-tetrachlorophenyl)propanoic acid
CID 86089013
2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid
CID 155926335
2-amino-3-(2-fluoro-4-hydroxy-3-methylsulfanylphenyl)propanoic acid
CID 117364576
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
CID 52933836
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
2-amino-3-(4-hydroxy-1,3-benzothiazol-7-yl)propanoic acid
CID 23253802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid (CID 135203756) is (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid is N[C@@H](Cc1ccc(O)c(Cl)c1C=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid?
The InChIKey is MUSZNCCXNXSSRN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10ClNO4/c11-9-6(4-13)5(1-2-8(9)14)3-7(12)10(15)16/h1-2,4,7,14H,3,12H2,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid?
(2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid has a molecular weight of 243.65 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-chloro-2-formyl-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 135203756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).