(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid

C11H15NO5 — CID 107823373

IUPAC(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](CCO)C(=O)O)c(C)o1
InChIInChI=1S/C11H15NO5/c1-6-5-8(7(2)17-6)10(14)12-9(3-4-13)11(15)16/h5,9,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)/t9-/m1/s1
InChIKeyDSVKQRSDZZCZKF-SECBINFHSA-N
MW241.24 g/mol
LogP0.46
Rot. Bonds5

About (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107823373) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107823373
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](CCO)C(=O)O)c(C)o1
InChIInChI=1S/C11H15NO5/c1-6-5-8(7(2)17-6)10(14)12-9(3-4-13)11(15)16/h5,9,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)/t9-/m1/s1
InChIKeyDSVKQRSDZZCZKF-SECBINFHSA-N
XLogP0.46
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353004
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996
(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 107823187
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid
CID 107823222
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid (CID 107823373) is (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid is Cc1cc(C(=O)N[C@H](CCO)C(=O)O)c(C)o1.
What is the InChIKey of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is DSVKQRSDZZCZKF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO5/c1-6-5-8(7(2)17-6)10(14)12-9(3-4-13)11(15)16/h5,9,13H,3-4H2,1-2H3,(H,12,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107823373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).