2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C15H27NO4 — CID 22476048

IUPAC2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16(11-13(17)18)12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyFKDSZFDBHYYPLS-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.42
Rot. Bonds3

About 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 22476048) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID22476048
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16(11-13(17)18)12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyFKDSZFDBHYYPLS-UHFFFAOYSA-N
XLogP3.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156633495
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
1-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]azetidine-2-carboxylic acid
CID 22716025
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91184991
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178
4-[[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166513792
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 22321740
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
CID 165465373
tert-butyl N-cyclohexyl-N-[2-(trioxidanylsulfanyl)ethyl]carbamate
CID 58676250

Frequently Asked Questions

What is the IUPAC name of 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 22476048) is 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)C1CCCCCCC1.
What is the InChIKey of 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is FKDSZFDBHYYPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16(11-13(17)18)12-9-7-5-4-6-8-10-12/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 22476048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).