6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid

C15H27NO5 — CID 119219939

IUPAC6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
SMILESCC(OCC1CCCCO1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H27NO5/c1-12(21-11-13-7-4-6-10-20-13)15(19)16-9-5-2-3-8-14(17)18/h12-13H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyKFHKZLHOKBXDNW-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.72
Rot. Bonds10

About 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid

6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid (PubChem CID 119219939) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
PubChem CID119219939
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
SMILESCC(OCC1CCCCO1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H27NO5/c1-12(21-11-13-7-4-6-10-20-13)15(19)16-9-5-2-3-8-14(17)18/h12-13H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyKFHKZLHOKBXDNW-UHFFFAOYSA-N
XLogP1.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.72
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-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119232781
6-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
oxan-2-ylmethyl 6-acetamidohexanoate
CID 134050656
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97435362
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
CID 119996178
3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207645
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
CID 61438953
N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-ylmethoxy)propanamide;hydrochloride
CID 119525083

Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid?
The IUPAC name of 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid (CID 119219939) is 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid is CC(OCC1CCCCO1)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid?
The InChIKey is KFHKZLHOKBXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-12(21-11-13-7-4-6-10-20-13)15(19)16-9-5-2-3-8-14(17)18/h12-13H,2-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid?
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid has a molecular weight of 301.38 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid is sourced from PubChem (CID 119219939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).