3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid

C11H14ClNO4 — CID 106683561

IUPAC3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccoc1Cl)CC(=O)O
InChIInChI=1S/C11H14ClNO4/c1-2-7(5-9(14)15)6-13-11(16)8-3-4-17-10(8)12/h3-4,7H,2,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyQYZVRIDHZDEXFB-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.16
Rot. Bonds6

About 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid

3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 106683561) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID106683561
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccoc1Cl)CC(=O)O
InChIInChI=1S/C11H14ClNO4/c1-2-7(5-9(14)15)6-13-11(16)8-3-4-17-10(8)12/h3-4,7H,2,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyQYZVRIDHZDEXFB-UHFFFAOYSA-N
XLogP2.16
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
CID 81065530
5-methyl-3-[[(2-methylfuran-3-carbonyl)amino]methyl]hexanoic acid
CID 65494748
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid (CID 106683561) is 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccoc1Cl)CC(=O)O.
What is the InChIKey of 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is QYZVRIDHZDEXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-2-7(5-9(14)15)6-13-11(16)8-3-4-17-10(8)12/h3-4,7H,2,5-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid?
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 259.69 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 106683561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).