2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid

C11H15NO4 — CID 114818817

IUPAC2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1coc(C)c1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-4-9(11(14)15)12-10(13)8-5-7(2)16-6-8/h5-6,9H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyINZTYHGPVARRFA-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.57
Rot. Bonds5

About 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid

2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid (PubChem CID 114818817) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
PubChem CID114818817
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1coc(C)c1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-4-9(11(14)15)12-10(13)8-5-7(2)16-6-8/h5-6,9H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyINZTYHGPVARRFA-UHFFFAOYSA-N
XLogP1.57
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 104978924
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
CID 114820691
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 1273432
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
CID 114823351
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
CID 107564962
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219
2-methyl-5-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114819196

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid (CID 114818817) is 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1coc(C)c1)C(=O)O.
What is the InChIKey of 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid?
The InChIKey is INZTYHGPVARRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-4-9(11(14)15)12-10(13)8-5-7(2)16-6-8/h5-6,9H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid?
2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 114818817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).