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

C12H17NO5 — CID 81076834

IUPAC5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C12H17NO5/c1-8-9(5-7-18-8)11(14)13-10(12(15)16)4-3-6-17-2/h5,7,10H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMSFCCNNVMZYOZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.20
Rot. Bonds7

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

5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid (PubChem CID 81076834) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
PubChem CID81076834
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C12H17NO5/c1-8-9(5-7-18-8)11(14)13-10(12(15)16)4-3-6-17-2/h5,7,10H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGMSFCCNNVMZYOZ-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'}

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Related Compounds

3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid
CID 81076747
(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039288
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 30051960
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
5-methoxy-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 114038720
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
CID 106152130
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid (CID 81076834) is 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid is COCCCC(NC(=O)c1ccoc1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid?
The InChIKey is GMSFCCNNVMZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-8-9(5-7-18-8)11(14)13-10(12(15)16)4-3-6-17-2/h5,7,10H,3-4,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid?
5-methoxy-2-[(2-methylfuran-3-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-[(2-methylfuran-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 81076834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).