3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid

C15H29NO3 — CID 82328774

IUPAC3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCCCCCCN(CCC(=O)O)CC1CCCO1
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-10-16(11-9-15(17)18)13-14-8-7-12-19-14/h14H,2-13H2,1H3,(H,17,18)
InChIKeyUBIVOQBPZNEAKT-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.91
Rot. Bonds11

About 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid

3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 82328774) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID82328774
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCCCCCCN(CCC(=O)O)CC1CCCO1
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-10-16(11-9-15(17)18)13-14-8-7-12-19-14/h14H,2-13H2,1H3,(H,17,18)
InChIKeyUBIVOQBPZNEAKT-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
3-[cyanomethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82328502
3-[butyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82328219
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82327343
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794

Frequently Asked Questions

What is the IUPAC name of 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid (CID 82328774) is 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid is CCCCCCCN(CCC(=O)O)CC1CCCO1.
What is the InChIKey of 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is UBIVOQBPZNEAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-6-10-16(11-9-15(17)18)13-14-8-7-12-19-14/h14H,2-13H2,1H3,(H,17,18).
What are the key properties of 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid?
3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82328774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).