2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid

C15H27NO3 — CID 65019428

IUPAC2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C1CCCCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-16(15(2,3)14(18)19)13(17)12-10-8-6-5-7-9-11-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyZEPUBQSAMJTJHQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds4

About 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid

2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 65019428) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID65019428
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C1CCCCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-16(15(2,3)14(18)19)13(17)12-10-8-6-5-7-9-11-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyZEPUBQSAMJTJHQ-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62819730
1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
CID 79053327
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
N-acetyl-N-ethylcyclopentanecarboxamide
CID 134386083
2-[ethyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62817339
2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123412
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910
2-[cyclohexylmethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818726
2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
CID 65061861
2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 105360802
2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62821983

Frequently Asked Questions

What is the IUPAC name of 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid (CID 65019428) is 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid is CCN(C(=O)C1CCCCCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is ZEPUBQSAMJTJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-16(15(2,3)14(18)19)13(17)12-10-8-6-5-7-9-11-12/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid?
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65019428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).