4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid

C15H25NO4 — CID 130281973

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC2(C(=O)O)CCCC1C2
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-11-6-8-15(12(17)18)7-4-5-10(11)9-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyMLAANWLPTZWQEI-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.93
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid (PubChem CID 130281973) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid
PubChem CID130281973
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC2(C(=O)O)CCCC1C2
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-11-6-8-15(12(17)18)7-4-5-10(11)9-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyMLAANWLPTZWQEI-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 138597999
(3S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylic acid
CID 66863401
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,4R)-2-formyl-4-hydroxy-4-methylcyclohexyl]carbamate
CID 170212604
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid (CID 130281973) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid is CC(C)(C)OC(=O)NC1CCC2(C(=O)O)CCCC1C2.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid?
The InChIKey is MLAANWLPTZWQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-11-6-8-15(12(17)18)7-4-5-10(11)9-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-1-carboxylic acid is sourced from PubChem (CID 130281973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).