(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid

C14H17NO7S — CID 142645675

IUPAC(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
SMILESC=CCOC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO7S/c1-3-8-22-14(18)12(9-13(16)17)15-23(19,20)11-6-4-10(21-2)5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H,16,17)/t12-/m1/s1
InChIKeyUUGMKFUEPAXYAC-GFCCVEGCSA-N
MW343.36 g/mol
LogP0.55
Rot. Bonds9

About (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid

(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid (PubChem CID 142645675) has the molecular formula C14H17NO7S and a molecular weight of 343.36 g/mol. Its IUPAC name is (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
PubChem CID142645675
Molecular FormulaC14H17NO7S
Molecular Weight343.36 g/mol
Exact Mass343.07
IUPAC Name(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
SMILESC=CCOC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO7S/c1-3-8-22-14(18)12(9-13(16)17)15-23(19,20)11-6-4-10(21-2)5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H,16,17)/t12-/m1/s1
InChIKeyUUGMKFUEPAXYAC-GFCCVEGCSA-N
XLogP0.55
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic 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

(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
methyl 2-[(4-phenylphenyl)sulfonylamino]pent-4-enoate
CID 23508264
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661
(3R)-3-[(4-chlorophenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90891648
prop-2-enyl (2S)-3-[[(2R)-3-methoxy-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]-[(4-methoxyphenyl)methyl]amino]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoate
CID 102492987
2-[(4-aminophenyl)sulfonylamino]butanedioic acid
CID 71945726

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid?
The IUPAC name of (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid (CID 142645675) is (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid.
What is the SMILES notation for (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid?
The canonical SMILES for (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid is C=CCOC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid?
The InChIKey is UUGMKFUEPAXYAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO7S/c1-3-8-22-14(18)12(9-13(16)17)15-23(19,20)11-6-4-10(21-2)5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid?
(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid has a molecular weight of 343.36 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid is sourced from PubChem (CID 142645675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).