2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid

C13H18N2O6 — CID 62479824

IUPAC2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)CCNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C13H18N2O6/c1-20-8-5-9(13(18)19)15-11(16)4-6-14-12(17)10-3-2-7-21-10/h2-3,7,9H,4-6,8H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyPQGVGDUZGGHYNW-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.01
Rot. Bonds9

About 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid

2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid (PubChem CID 62479824) has the molecular formula C13H18N2O6 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
PubChem CID62479824
Molecular FormulaC13H18N2O6
Molecular Weight298.29 g/mol
Exact Mass298.12
IUPAC Name2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)CCNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C13H18N2O6/c1-20-8-5-9(13(18)19)15-11(16)4-6-14-12(17)10-3-2-7-21-10/h2-3,7,9H,4-6,8H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyPQGVGDUZGGHYNW-UHFFFAOYSA-N
XLogP0.01
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 103876816
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 9404731
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
CID 120702247
4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
CID 120547174
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479125
3-(furan-2-carbonylamino)propanoic acid
CID 762504
2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243012

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid (CID 62479824) is 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid is COCCC(NC(=O)CCNC(=O)c1ccco1)C(=O)O.
What is the InChIKey of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid?
The InChIKey is PQGVGDUZGGHYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-20-8-5-9(13(18)19)15-11(16)4-6-14-12(17)10-3-2-7-21-10/h2-3,7,9H,4-6,8H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid?
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid has a molecular weight of 298.29 g/mol, XLogP of 0.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62479824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).