(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid

C10H13NO4 — CID 103791172

IUPAC(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)N[C@H](C)C(=O)O)o1
InChIInChI=1S/C10H13NO4/c1-5-4-6(2)15-8(5)9(12)11-7(3)10(13)14/h4,7H,1-3H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyUGCHYMCEMPPRSS-SSDOTTSWSA-N
MW211.22 g/mol
LogP1.10
Rot. Bonds3

About (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid

(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 103791172) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid
PubChem CID103791172
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)N[C@H](C)C(=O)O)o1
InChIInChI=1S/C10H13NO4/c1-5-4-6(2)15-8(5)9(12)11-7(3)10(13)14/h4,7H,1-3H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyUGCHYMCEMPPRSS-SSDOTTSWSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
CID 103791126
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
CID 119586216
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
(2R)-2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119244664
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 96528827
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2S)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119361264
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide
CID 111789808
2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid (CID 103791172) is (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid is Cc1cc(C)c(C(=O)N[C@H](C)C(=O)O)o1.
What is the InChIKey of (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is UGCHYMCEMPPRSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO4/c1-5-4-6(2)15-8(5)9(12)11-7(3)10(13)14/h4,7H,1-3H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid?
(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103791172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).