3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid

C15H27NO3 — CID 82323613

IUPAC3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
SMILESCC(C)C(=O)N(CCC(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)15(19)16(11-10-14(17)18)13-8-6-4-3-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyNVXDMERDYKJCJB-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds5

About 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid

3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid (PubChem CID 82323613) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
PubChem CID82323613
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
SMILESCC(C)C(=O)N(CCC(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)15(19)16(11-10-14(17)18)13-8-6-4-3-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyNVXDMERDYKJCJB-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-cyclopropylamino]propanoic acid
CID 61161442
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 64890671
3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid
CID 61160293
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101

Frequently Asked Questions

What is the IUPAC name of 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid (CID 82323613) is 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid is CC(C)C(=O)N(CCC(=O)O)C1CCCCCCC1.
What is the InChIKey of 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid?
The InChIKey is NVXDMERDYKJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)15(19)16(11-10-14(17)18)13-8-6-4-3-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid?
3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 82323613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).