(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid

C18H19NO2 — CID 174555698

IUPAC(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid
SMILESCC(N)/C(Cc1ccccc1)=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(19)16(12-14-8-4-2-5-9-14)17(18(20)21)15-10-6-3-7-11-15/h2-11,13H,12,19H2,1H3,(H,20,21)/b17-16-
InChIKeyCVXLPZUOELQOSQ-MSUUIHNZSA-N
MW281.36 g/mol
LogP3.11
Rot. Bonds5

About (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid

(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid (PubChem CID 174555698) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid
PubChem CID174555698
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid
SMILESCC(N)/C(Cc1ccccc1)=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13(19)16(12-14-8-4-2-5-9-14)17(18(20)21)15-10-6-3-7-11-15/h2-11,13H,12,19H2,1H3,(H,20,21)/b17-16-
InChIKeyCVXLPZUOELQOSQ-MSUUIHNZSA-N
XLogP3.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-amino-3-benzyl-2-pentan-3-ylpent-2-enamide
CID 164769140
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
CID 134119528
benzyl (2S)-2-aminopropanoate
CID 726858
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
[2-(dichloromethylidene)-3-methylbutyl]benzene
CID 173308340
oxalic acid;1-phenylpropan-2-ol
CID 162336088
(E)-2-benzyl-3-propan-2-ylbut-2-enedioic acid
CID 23164239
(E)-3-methyl-4-phenyl-2-propan-2-ylbut-2-enoic acid
CID 140911075
(E)-2-benzyl-3-(2-hydroxypropyl)but-2-enedioic acid
CID 141142472
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid?
The IUPAC name of (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid (CID 174555698) is (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid.
What is the SMILES notation for (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid?
The canonical SMILES for (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid is CC(N)/C(Cc1ccccc1)=C(\C(=O)O)c1ccccc1.
What is the InChIKey of (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid?
The InChIKey is CVXLPZUOELQOSQ-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(19)16(12-14-8-4-2-5-9-14)17(18(20)21)15-10-6-3-7-11-15/h2-11,13H,12,19H2,1H3,(H,20,21)/b17-16-.
What are the key properties of (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid?
(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid has a molecular weight of 281.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid is sourced from PubChem (CID 174555698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).