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

C10H13NO4 — CID 61262797

IUPAC2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H13NO4/c1-6-7(4-5-15-6)8(12)11-10(2,3)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyVHORKPRZTWUSMR-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.18
Rot. Bonds3

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

2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (PubChem CID 61262797) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
PubChem CID61262797
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H13NO4/c1-6-7(4-5-15-6)8(12)11-10(2,3)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyVHORKPRZTWUSMR-UHFFFAOYSA-N
XLogP1.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 146150349
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
CID 103946130
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide
CID 154881679
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62829026
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (CID 61262797) is 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is Cc1occc1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The InChIKey is VHORKPRZTWUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6-7(4-5-15-6)8(12)11-10(2,3)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61262797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).