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

C9H11NO4 — CID 16774723

IUPAC2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H11NO4/c1-5(9(12)13)10-8(11)7-3-4-14-6(7)2/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyNXMFFUWXUIEXMC-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.79
Rot. Bonds3

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

2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (PubChem CID 16774723) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
PubChem CID16774723
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H11NO4/c1-5(9(12)13)10-8(11)7-3-4-14-6(7)2/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyNXMFFUWXUIEXMC-UHFFFAOYSA-N
XLogP0.79
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
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)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
CID 97337478
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039288
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (CID 16774723) is 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is Cc1occc1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The InChIKey is NXMFFUWXUIEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5(9(12)13)10-8(11)7-3-4-14-6(7)2/h3-5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 16774723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).