(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid

C12H16N2O6 — CID 107822895

IUPAC(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H16N2O6/c1-7(13-11(17)9-3-2-6-20-9)10(16)14-8(4-5-15)12(18)19/h2-3,6-8,15H,4-5H2,1H3,(H,13,17)(H,14,16)(H,18,19)/t7?,8-/m1/s1
InChIKeyWWYFGQMKMQCFDT-BRFYHDHCSA-N
MW284.27 g/mol
LogP-0.65
Rot. Bonds7

About (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid

(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid (PubChem CID 107822895) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
PubChem CID107822895
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H16N2O6/c1-7(13-11(17)9-3-2-6-20-9)10(16)14-8(4-5-15)12(18)19/h2-3,6-8,15H,4-5H2,1H3,(H,13,17)(H,14,16)(H,18,19)/t7?,8-/m1/s1
InChIKeyWWYFGQMKMQCFDT-BRFYHDHCSA-N
XLogP-0.65
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide
CID 135316074
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-(1-aminohexan-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119667471
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119587670
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid (CID 107822895) is (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid is CC(NC(=O)c1ccco1)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid?
The InChIKey is WWYFGQMKMQCFDT-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-7(13-11(17)9-3-2-6-20-9)10(16)14-8(4-5-15)12(18)19/h2-3,6-8,15H,4-5H2,1H3,(H,13,17)(H,14,16)(H,18,19)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid?
(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid has a molecular weight of 284.27 g/mol, XLogP of -0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).