(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid

C11H13NO4 — CID 78961916

IUPAC(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc([C@@H](CC(=O)O)NC=O)c1
InChIInChI=1S/C11H13NO4/c1-16-9-4-2-3-8(5-9)10(12-7-13)6-11(14)15/h2-5,7,10H,6H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
InChIKeyAQGZOENWBQOGSY-SNVBAGLBSA-N
MW223.23 g/mol
LogP0.96
Rot. Bonds6

About (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid

(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid (PubChem CID 78961916) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
PubChem CID78961916
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc([C@@H](CC(=O)O)NC=O)c1
InChIInChI=1S/C11H13NO4/c1-16-9-4-2-3-8(5-9)10(12-7-13)6-11(14)15/h2-5,7,10H,6H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
InChIKeyAQGZOENWBQOGSY-SNVBAGLBSA-N
XLogP0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
(3S)-3-(3-bromo-4-methoxyphenyl)-3-formamidopropanoic acid
CID 78961802
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112511466
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
(3R)-3-(3-bromo-4-methylphenyl)-3-formamidopropanoic acid
CID 105405245
(3S)-3-(4-fluoro-3-methylphenyl)-3-formamidopropanoic acid
CID 78961833
(3R)-3-(3-methoxyphenyl)-3-(pyridin-4-ylcarbamothioylamino)propanoic acid
CID 100569200
3-(4-fluorophenyl)-3-[[3-(methoxycarbonylamino)-3-(3-methoxyphenyl)propanoyl]amino]propanoic acid
CID 58143451
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid
CID 7023343
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131

Frequently Asked Questions

What is the IUPAC name of (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid (CID 78961916) is (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid is COc1cccc([C@@H](CC(=O)O)NC=O)c1.
What is the InChIKey of (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is AQGZOENWBQOGSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-9-4-2-3-8(5-9)10(12-7-13)6-11(14)15/h2-5,7,10H,6H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid?
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 78961916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).