6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid

C11H19NO4 — CID 30112632

IUPAC6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H19NO4/c13-10(14)6-2-1-3-7-12-11(15)9-5-4-8-16-9/h9H,1-8H2,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyGZLVIMRTFALBSH-VIFPVBQESA-N
MW229.28 g/mol
LogP0.93
Rot. Bonds7

About 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid

6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid (PubChem CID 30112632) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
PubChem CID30112632
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H19NO4/c13-10(14)6-2-1-3-7-12-11(15)9-5-4-8-16-9/h9H,1-8H2,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyGZLVIMRTFALBSH-VIFPVBQESA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(oxolane-2-carbonylamino)hexanoate
CID 43404498
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
ethyl 4-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103872319
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771
7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
CID 61438953
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid (CID 30112632) is 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)[C@@H]1CCCO1.
What is the InChIKey of 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid?
The InChIKey is GZLVIMRTFALBSH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c13-10(14)6-2-1-3-7-12-11(15)9-5-4-8-16-9/h9H,1-8H2,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid?
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 30112632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).