3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid

C10H13NO5 — CID 81077472

IUPAC3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C10H13NO5/c1-6-7(3-4-16-6)9(12)11-8(5-15-2)10(13)14/h3-4,8H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWGDKKUHLJVIZQU-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.42
Rot. Bonds5

About 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid

3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (PubChem CID 81077472) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
PubChem CID81077472
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C10H13NO5/c1-6-7(3-4-16-6)9(12)11-8(5-15-2)10(13)14/h3-4,8H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWGDKKUHLJVIZQU-UHFFFAOYSA-N
XLogP0.42
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 30051960
(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039288
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
CID 106152130
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (CID 81077472) is 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is COCC(NC(=O)c1ccoc1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The InChIKey is WGDKKUHLJVIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-6-7(3-4-16-6)9(12)11-8(5-15-2)10(13)14/h3-4,8H,5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid has a molecular weight of 227.22 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81077472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).