4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid

C15H27NO4 — CID 65157479

IUPAC4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)CC1CCCO1)CCC(=O)O
InChIInChI=1S/C15H27NO4/c1-2-4-12(6-7-15(18)19)8-9-16-14(17)11-13-5-3-10-20-13/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyMQSKOUJHFVTUCJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds10

About 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid

4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid (PubChem CID 65157479) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
PubChem CID65157479
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)CC1CCCO1)CCC(=O)O
InChIInChI=1S/C15H27NO4/c1-2-4-12(6-7-15(18)19)8-9-16-14(17)11-13-5-3-10-20-13/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyMQSKOUJHFVTUCJ-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106116037
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
CID 114457173
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
3-[[2-(oxolan-2-ylmethoxy)acetyl]amino]propanoic acid
CID 115729941
N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
CID 106157924
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid (CID 65157479) is 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid is CCCC(CCNC(=O)CC1CCCO1)CCC(=O)O.
What is the InChIKey of 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid?
The InChIKey is MQSKOUJHFVTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-2-4-12(6-7-15(18)19)8-9-16-14(17)11-13-5-3-10-20-13/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid?
4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid is sourced from PubChem (CID 65157479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).