(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid

C10H10ClNO2 — CID 70434643

IUPAC(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid
SMILESNC(/C=C/c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-6,9H,12H2,(H,13,14)/b6-3+
InChIKeyNXZMPNSQZAOMDG-ZZXKWVIFSA-N
MW211.65 g/mol
LogP1.77
Rot. Bonds3

About (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid

(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid (PubChem CID 70434643) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid
PubChem CID70434643
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid
SMILESNC(/C=C/c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-6,9H,12H2,(H,13,14)/b6-3+
InChIKeyNXZMPNSQZAOMDG-ZZXKWVIFSA-N
XLogP1.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
CID 105460059
2-amino-4-(3,4-dihydroxyphenyl)but-3-enoic acid
CID 70558627
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
dimethyl 2-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enyl]propanedioate
CID 102041385
(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
CID 105460058
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid?
The IUPAC name of (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid (CID 70434643) is (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid.
What is the SMILES notation for (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid?
The canonical SMILES for (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid is NC(/C=C/c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid?
The InChIKey is NXZMPNSQZAOMDG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-6,9H,12H2,(H,13,14)/b6-3+.
What are the key properties of (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid?
(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid has a molecular weight of 211.65 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid is sourced from PubChem (CID 70434643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).