2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid

C19H21Cl2NO4 — CID 160717719

IUPAC2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)cc1)C(=O)O.NC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO2.C9H10ClNO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8;10-7-3-1-6(2-4-7)5-8(11)9(12)13/h2-5,7H,6H2,1H3,(H,12,13);1-4,8H,5,11H2,(H,12,13)
InChIKeyRSRSCTIRGNDQQN-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.90
Rot. Bonds6

About 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid

2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid (PubChem CID 160717719) has the molecular formula C19H21Cl2NO4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid
PubChem CID160717719
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.29 g/mol
Exact Mass397.08
IUPAC Name2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)cc1)C(=O)O.NC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO2.C9H10ClNO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8;10-7-3-1-6(2-4-7)5-8(11)9(12)13/h2-5,7H,6H2,1H3,(H,12,13);1-4,8H,5,11H2,(H,12,13)
InChIKeyRSRSCTIRGNDQQN-UHFFFAOYSA-N
XLogP3.90
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-chlorophenyl)propanoic acid;2-amino-3-methylbutanoic acid
CID 22411398
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
2-acetamido-3-(4-chlorophenyl)propanoic acid;(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 158648448
2-amino-3-phenylpropanoic acid;chlorobenzene
CID 174438338
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]propanoic acid
CID 175952202
3-[2-(2-amino-2-carboxyethyl)-4-chlorophenyl]-2-methylpropanoic acid
CID 18956360
(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 175961360
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid (CID 160717719) is 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid is CC(Cc1ccc(Cl)cc1)C(=O)O.NC(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid?
The InChIKey is RSRSCTIRGNDQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2.C9H10ClNO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8;10-7-3-1-6(2-4-7)5-8(11)9(12)13/h2-5,7H,6H2,1H3,(H,12,13);1-4,8H,5,11H2,(H,12,13).
What are the key properties of 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid?
2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid has a molecular weight of 398.29 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 160717719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).