(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid

C10H10ClF2NO2 — CID 171702806

IUPAC(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid
SMILESN[C@H](CCc1ccc(F)c(Cl)c1F)C(=O)O
InChIInChI=1S/C10H10ClF2NO2/c11-8-6(12)3-1-5(9(8)13)2-4-7(14)10(15)16/h1,3,7H,2,4,14H2,(H,15,16)/t7-/m1/s1
InChIKeyDDKDUTXIYQOJFP-SSDOTTSWSA-N
MW249.64 g/mol
LogP1.96
Rot. Bonds4

About (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid

(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid (PubChem CID 171702806) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid
PubChem CID171702806
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid
SMILESN[C@H](CCc1ccc(F)c(Cl)c1F)C(=O)O
InChIInChI=1S/C10H10ClF2NO2/c11-8-6(12)3-1-5(9(8)13)2-4-7(14)10(15)16/h1,3,7H,2,4,14H2,(H,15,16)/t7-/m1/s1
InChIKeyDDKDUTXIYQOJFP-SSDOTTSWSA-N
XLogP1.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
CID 174797793
(2S)-2-amino-3-(2,4-difluoro-3-iodophenyl)propanoic acid
CID 90411427
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
2-amino-4-[2-(2,4-difluorophenyl)ethylamino]butanoic acid
CID 115241335
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
2-amino-3-(2-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835
2-amino-4-[2-(3,4-difluorophenyl)ethylsulfanyl]butanoic acid
CID 170770426
2-amino-4-[(2,4-difluorophenyl)methylsulfanyl]butanoic acid
CID 62197014
(2S)-2-aminopentanedioic acid;4-chloroaniline
CID 70375462
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
CID 117418267
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butanoic acid
CID 57255612
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid?
The IUPAC name of (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid (CID 171702806) is (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid?
The canonical SMILES for (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid is N[C@H](CCc1ccc(F)c(Cl)c1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid?
The InChIKey is DDKDUTXIYQOJFP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c11-8-6(12)3-1-5(9(8)13)2-4-7(14)10(15)16/h1,3,7H,2,4,14H2,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid?
(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid has a molecular weight of 249.64 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid is sourced from PubChem (CID 171702806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).