2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid

C14H20N2O5 — CID 62818067

IUPAC2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C(C)NC(=O)c1ccco1)C(C)(C)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-5-16(14(3,4)13(19)20)12(18)9(2)15-11(17)10-7-6-8-21-10/h6-9H,5H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyQRYDKOCTNOQRPR-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.11
Rot. Bonds6

About 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid (PubChem CID 62818067) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
PubChem CID62818067
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C(C)NC(=O)c1ccco1)C(C)(C)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-5-16(14(3,4)13(19)20)12(18)9(2)15-11(17)10-7-6-8-21-10/h6-9H,5H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyQRYDKOCTNOQRPR-UHFFFAOYSA-N
XLogP1.11
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-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

2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid
CID 79262022
N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60653730
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43172563
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573
3-[[(2S)-2-(furan-2-carbonylamino)propanoyl]-(2-methylpropyl)amino]propanoic acid
CID 129414649
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
4-[benzyl-[2-(furan-2-carbonylamino)propanoyl]amino]butanoic acid
CID 120536344
N-[1-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 103933551
2-[2-(furan-2-carbonylamino)propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 120517994

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid (CID 62818067) is 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid is CCN(C(=O)C(C)NC(=O)c1ccco1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid?
The InChIKey is QRYDKOCTNOQRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-5-16(14(3,4)13(19)20)12(18)9(2)15-11(17)10-7-6-8-21-10/h6-9H,5H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).