9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid

C15H25NO4 — CID 54594744

IUPAC9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1C2CCCC1CC(C(=O)O)C2
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-12-9-5-4-6-10(12)8-11(7-9)13(17)18/h9-12H,4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYGDCHKAYXVYYEQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.79
Rot. Bonds2

About 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid

9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid (PubChem CID 54594744) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid.

Molecular Properties

Compound Name9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid
PubChem CID54594744
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1C2CCCC1CC(C(=O)O)C2
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-12-9-5-4-6-10(12)8-11(7-9)13(17)18/h9-12H,4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYGDCHKAYXVYYEQ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid with MolForge

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Related Compounds

2-((1s,4s)-4-(((Tert-butoxy)carbonyl)amino)cyclohexyl)acetic acid
CID 11253897
4-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
CID 2755996
rac-2-[(1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclohexyl]acetic acid
CID 69909588
4-(((Tert-butoxy)carbonyl)amino)cycloheptane-1-carboxylic acid
CID 138040368
rac-(1R,6S,7S,8S)-8-(((tert-butoxy)carbonyl)amino)bicyclo(4.2.0)octane-7-carboxylic acid
CID 145867356
(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 129379791
(1S,3R,4S)-4-(tert-butoxycarbonylamino)-3-fluoro-cyclohexanecarboxylic acid
CID 122672439
(1R,3S,4R)-4-{[(tert-butoxy)carbonyl]amino}-3-fluorocyclohexane-1-carboxylic acid
CID 122672442
trans-(1S,4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 122672811
trans-4-((Tert-butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylic acid
CID 122672812
4-((tert-Butoxycarbonyl)amino)-3,3-difluorocyclohexane-1-carboxylic acid
CID 122672815
4-(tert-Butoxycarbonylamino)-1-fluoro-cyclohexanecarboxylic acid
CID 130067774

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid?
The IUPAC name of 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid (CID 54594744) is 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid.
What is the SMILES notation for 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid?
The canonical SMILES for 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid is CC(C)(C)OC(=O)NC1C2CCCC1CC(C(=O)O)C2.
What is the InChIKey of 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid?
The InChIKey is YGDCHKAYXVYYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-12-9-5-4-6-10(12)8-11(7-9)13(17)18/h9-12H,4-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid?
9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.3.1]nonane-3-carboxylic acid is sourced from PubChem (CID 54594744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).