2-(oxolane-3-carbonylamino)hexanoic acid

C11H19NO4 — CID 61271265

IUPAC2-(oxolane-3-carbonylamino)hexanoic acid
SMILESCCCCC(NC(=O)C1CCOC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-3-4-9(11(14)15)12-10(13)8-5-6-16-7-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyMCNHMDNHFMEKCG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds6

About 2-(oxolane-3-carbonylamino)hexanoic acid

2-(oxolane-3-carbonylamino)hexanoic acid (PubChem CID 61271265) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(oxolane-3-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-(oxolane-3-carbonylamino)hexanoic acid
PubChem CID61271265
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(oxolane-3-carbonylamino)hexanoic acid
SMILESCCCCC(NC(=O)C1CCOC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-3-4-9(11(14)15)12-10(13)8-5-6-16-7-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyMCNHMDNHFMEKCG-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
CID 107823475
4-methylsulfonyl-2-(oxolane-3-carbonylamino)butanoic acid
CID 61272830
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
CID 107144689
3-(1-carboxypentylcarbamoyl)-5-[[(1S)-1-carboxypentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 143048092
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
(2S)-6-diazo-5-oxo-2-[[(3R)-oxolane-3-carbonyl]amino]hexanoic acid
CID 170437424
2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 79750914
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417

Frequently Asked Questions

What is the IUPAC name of 2-(oxolane-3-carbonylamino)hexanoic acid?
The IUPAC name of 2-(oxolane-3-carbonylamino)hexanoic acid (CID 61271265) is 2-(oxolane-3-carbonylamino)hexanoic acid.
What is the SMILES notation for 2-(oxolane-3-carbonylamino)hexanoic acid?
The canonical SMILES for 2-(oxolane-3-carbonylamino)hexanoic acid is CCCCC(NC(=O)C1CCOC1)C(=O)O.
What is the InChIKey of 2-(oxolane-3-carbonylamino)hexanoic acid?
The InChIKey is MCNHMDNHFMEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-3-4-9(11(14)15)12-10(13)8-5-6-16-7-8/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(oxolane-3-carbonylamino)hexanoic acid?
2-(oxolane-3-carbonylamino)hexanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolane-3-carbonylamino)hexanoic acid is sourced from PubChem (CID 61271265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).