(E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid

C14H15NO5 — CID 10356128

IUPAC(E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid
SMILESCOC(=O)/C(=C/CNC(=O)c1ccccc1)CC(=O)O
InChIInChI=1S/C14H15NO5/c1-20-14(19)11(9-12(16)17)7-8-15-13(18)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17)/b11-7+
InChIKeyQKSIXTQIAUFBCC-YRNVUSSQSA-N
MW277.28 g/mol
LogP0.99
Rot. Bonds6

About (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid

(E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid (PubChem CID 10356128) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid
PubChem CID10356128
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid
SMILESCOC(=O)/C(=C/CNC(=O)c1ccccc1)CC(=O)O
InChIInChI=1S/C14H15NO5/c1-20-14(19)11(9-12(16)17)7-8-15-13(18)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17)/b11-7+
InChIKeyQKSIXTQIAUFBCC-YRNVUSSQSA-N
XLogP0.99
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5Z)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 15352566
(3Z,5E)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 10689320
N-(2-sulfonylethyl)benzamide
CID 151291647
N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
CID 175163770
N-ethylbenzamide
CID 160772566
methyl 4-benzamidobutanoate
CID 13197711
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
dimethyl (2Z,4Z)-2-benzamido-5-phenacylhexa-2,4-dienedioate
CID 59187976
CID 70569018
CID 70569018
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
2-benzamidoacetic acid;hydrofluoride
CID 174760685

Frequently Asked Questions

What is the IUPAC name of (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid?
The IUPAC name of (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid (CID 10356128) is (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid.
What is the SMILES notation for (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid?
The canonical SMILES for (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid is COC(=O)/C(=C/CNC(=O)c1ccccc1)CC(=O)O.
What is the InChIKey of (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid?
The InChIKey is QKSIXTQIAUFBCC-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H15NO5/c1-20-14(19)11(9-12(16)17)7-8-15-13(18)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17)/b11-7+.
What are the key properties of (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid?
(E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid is sourced from PubChem (CID 10356128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).