4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid

C14H24N2O3 — CID 162369967

IUPAC4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCC(C)CNC(=O)NC12CCC(C(=O)O)(CC1)CC2
InChIInChI=1S/C14H24N2O3/c1-10(2)9-15-12(19)16-14-6-3-13(4-7-14,5-8-14)11(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIFZQQORVZQEXFQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds4

About 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid

4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid (PubChem CID 162369967) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid
PubChem CID162369967
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCC(C)CNC(=O)NC12CCC(C(=O)O)(CC1)CC2
InChIInChI=1S/C14H24N2O3/c1-10(2)9-15-12(19)16-14-6-3-13(4-7-14,5-8-14)11(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIFZQQORVZQEXFQ-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea
CID 165478084
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2,6-dimethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 43184768
4-(cyclopropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid
CID 162369969
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 102907182
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-(2-methylpropyl)urea
CID 3436222
1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 83144099
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name of 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid (CID 162369967) is 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid?
The canonical SMILES for 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid is CC(C)CNC(=O)NC12CCC(C(=O)O)(CC1)CC2.
What is the InChIKey of 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is IFZQQORVZQEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)9-15-12(19)16-14-6-3-13(4-7-14,5-8-14)11(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid?
4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid is sourced from PubChem (CID 162369967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).