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

C14H20N2O5 — CID 43092601

IUPAC2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CCNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9(2)8-10(14(19)20)16-12(17)5-6-15-13(18)11-4-3-7-21-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyRHPIAZNZNYHVSN-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.01
Rot. Bonds8

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

2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 43092601) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID43092601
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)CCNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9(2)8-10(14(19)20)16-12(17)5-6-15-13(18)11-4-3-7-21-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyRHPIAZNZNYHVSN-UHFFFAOYSA-N
XLogP1.01
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479824
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
(2S)-2-[[2-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694592
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 9404731
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid (CID 43092601) is 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid is CC(C)CC(NC(=O)CCNC(=O)c1ccco1)C(=O)O.
What is the InChIKey of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is RHPIAZNZNYHVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(2)8-10(14(19)20)16-12(17)5-6-15-13(18)11-4-3-7-21-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid?
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 43092601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).