(Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid

C12H14NO5P — CID 68981682

IUPAC(Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid
SMILESCP(=O)(O)C/C=C(\NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H14NO5P/c1-19(17,18)8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b10-7-
InChIKeyZGAWWVIBUMVWEC-YFHOEESVSA-N
MW283.22 g/mol
LogP1.29
Rot. Bonds5

About (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid

(Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid (PubChem CID 68981682) has the molecular formula C12H14NO5P and a molecular weight of 283.22 g/mol. Its IUPAC name is (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid
PubChem CID68981682
Molecular FormulaC12H14NO5P
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name(Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid
SMILESCP(=O)(O)C/C=C(\NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H14NO5P/c1-19(17,18)8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b10-7-
InChIKeyZGAWWVIBUMVWEC-YFHOEESVSA-N
XLogP1.29
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-benzamidobut-2-enoic acid
CID 15472529
2-benzamidopenta-2,4-dienoic acid
CID 87146493
(Z)-2-(ethoxycarbonylamino)-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid
CID 89147423
(Z)-2-benzamido-3-chloroprop-2-enoic acid
CID 10977157
ethyl (Z)-2-benzamido-4-[ethoxy(methyl)phosphoryl]but-2-enoate
CID 68912357
ethyl (Z)-2-benzamido-4-[methoxy(methyl)phosphoryl]but-2-enoate
CID 68913158
(Z)-2-benzamido-4,4,4-trifluorobut-2-enoic acid
CID 141167082
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
(E)-2-benzamido-3-(2,4,6-trimethylpyrimidin-5-yl)prop-2-enoic acid
CID 134999815
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid (CID 68981682) is (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid is CP(=O)(O)C/C=C(\NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid?
The InChIKey is ZGAWWVIBUMVWEC-YFHOEESVSA-N. The full InChI is InChI=1S/C12H14NO5P/c1-19(17,18)8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b10-7-.
What are the key properties of (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid?
(Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid has a molecular weight of 283.22 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid is sourced from PubChem (CID 68981682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).