3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid

C13H18N2O5 — CID 119227974

IUPAC3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-8(13(18)19)6-15(3)12(17)9(2)14-11(16)10-4-5-20-7-10/h4-5,7-9H,6H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyZICZUNANVKRQAY-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.58
Rot. Bonds6

About 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid

3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119227974) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119227974
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-8(13(18)19)6-15(3)12(17)9(2)14-11(16)10-4-5-20-7-10/h4-5,7-9H,6H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyZICZUNANVKRQAY-UHFFFAOYSA-N
XLogP0.58
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94458056
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119228702
N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 119441351
2-(furan-3-carbonylamino)-4-methylsulfonylbutanoic acid
CID 18073178
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid (CID 119227974) is 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)C(C)NC(=O)c1ccoc1)C(=O)O.
What is the InChIKey of 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is ZICZUNANVKRQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8(13(18)19)6-15(3)12(17)9(2)14-11(16)10-4-5-20-7-10/h4-5,7-9H,6H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid?
3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119227974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).