1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid

C12H22N2O3 — CID 83144099

IUPAC1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCC(CNC(=O)NC1(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(11(2,3)4)7-13-10(17)14-12(5-6-12)9(15)16/h8H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyJYEAEVRYPUYSQV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.59
Rot. Bonds4

About 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid

1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 83144099) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID83144099
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCC(CNC(=O)NC1(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(11(2,3)4)7-13-10(17)14-12(5-6-12)9(15)16/h8H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyJYEAEVRYPUYSQV-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2,3,3-trimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 83142956
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 102907182
1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 103463422
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 113363228
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63959006
1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65452446
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
CID 115293093
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid (CID 83144099) is 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid is CC(CNC(=O)NC1(C(=O)O)CC1)C(C)(C)C.
What is the InChIKey of 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is JYEAEVRYPUYSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(11(2,3)4)7-13-10(17)14-12(5-6-12)9(15)16/h8H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83144099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).