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

C12H17NO5 — CID 81076747

IUPAC5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1occc1C)C(=O)O
InChIInChI=1S/C12H17NO5/c1-8-5-7-18-10(8)11(14)13-9(12(15)16)4-3-6-17-2/h5,7,9H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyPNEBVLUONUFJLO-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.20
Rot. Bonds7

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

5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid (PubChem CID 81076747) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid
PubChem CID81076747
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1occc1C)C(=O)O
InChIInChI=1S/C12H17NO5/c1-8-5-7-18-10(8)11(14)13-9(12(15)16)4-3-6-17-2/h5,7,9H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyPNEBVLUONUFJLO-UHFFFAOYSA-N
XLogP1.20
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
2-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 16771699
2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076917
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076583
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid (CID 81076747) is 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid is COCCCC(NC(=O)c1occc1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid?
The InChIKey is PNEBVLUONUFJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-8-5-7-18-10(8)11(14)13-9(12(15)16)4-3-6-17-2/h5,7,9H,3-4,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid?
5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 81076747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).