3-(2-methoxycarbonylanilino)propanoic acid

C11H13NO4 — CID 15046919

IUPAC3-(2-methoxycarbonylanilino)propanoic acid
SMILESCOC(=O)c1ccccc1NCCC(=O)O
InChIInChI=1S/C11H13NO4/c1-16-11(15)8-4-2-3-5-9(8)12-7-6-10(13)14/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyRREYBSWHJCCJBC-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.36
Rot. Bonds5

About 3-(2-methoxycarbonylanilino)propanoic acid

3-(2-methoxycarbonylanilino)propanoic acid (PubChem CID 15046919) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2-methoxycarbonylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxycarbonylanilino)propanoic acid
PubChem CID15046919
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-(2-methoxycarbonylanilino)propanoic acid
SMILESCOC(=O)c1ccccc1NCCC(=O)O
InChIInChI=1S/C11H13NO4/c1-16-11(15)8-4-2-3-5-9(8)12-7-6-10(13)14/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyRREYBSWHJCCJBC-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(2-tert-butylanilino)-3-oxopropyl]amino]benzoate
CID 109037275
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899
methyl 2-[3-(2-bromoanilino)propanoylamino]benzoate
CID 109041303
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]amino]benzoate
CID 109041347
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate
CID 109032522
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxycarbonylanilino)propanoic acid?
The IUPAC name of 3-(2-methoxycarbonylanilino)propanoic acid (CID 15046919) is 3-(2-methoxycarbonylanilino)propanoic acid.
What is the SMILES notation for 3-(2-methoxycarbonylanilino)propanoic acid?
The canonical SMILES for 3-(2-methoxycarbonylanilino)propanoic acid is COC(=O)c1ccccc1NCCC(=O)O.
What is the InChIKey of 3-(2-methoxycarbonylanilino)propanoic acid?
The InChIKey is RREYBSWHJCCJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-11(15)8-4-2-3-5-9(8)12-7-6-10(13)14/h2-5,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(2-methoxycarbonylanilino)propanoic acid?
3-(2-methoxycarbonylanilino)propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxycarbonylanilino)propanoic acid is sourced from PubChem (CID 15046919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).