2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid

C13H18N2O5 — CID 119199037

IUPAC2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-4-13(3,12(18)19)15-10(16)8(2)14-11(17)9-5-6-20-7-9/h5-8H,4H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyWRNNIYKYJKDCMV-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.77
Rot. Bonds6

About 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid

2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid (PubChem CID 119199037) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
PubChem CID119199037
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-4-13(3,12(18)19)15-10(16)8(2)14-11(17)9-5-6-20-7-9/h5-8H,4H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyWRNNIYKYJKDCMV-UHFFFAOYSA-N
XLogP0.77
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic 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

N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-2-methylbutanoic acid
CID 119199151
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid (CID 119199037) is 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)C(C)NC(=O)c1ccoc1)C(=O)O.
What is the InChIKey of 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid?
The InChIKey is WRNNIYKYJKDCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-13(3,12(18)19)15-10(16)8(2)14-11(17)9-5-6-20-7-9/h5-8H,4H2,1-3H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid?
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 119199037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).