1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid

C11H20N2O3 — CID 103463422

IUPAC1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-4-10(2,3)7-12-9(16)13-11(5-6-11)8(14)15/h4-7H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyFCOGBOXIEXEOPQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds5

About 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid

1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 103463422) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID103463422
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-4-10(2,3)7-12-9(16)13-11(5-6-11)8(14)15/h4-7H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyFCOGBOXIEXEOPQ-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106279269
1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163246
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563
1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 83144099
1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65452446
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163265
2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 103463370
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 102907182
1-[2-(2,2-dimethylbutylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 103460264
4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid (CID 103463422) is 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid is CCC(C)(C)CNC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is FCOGBOXIEXEOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-10(2,3)7-12-9(16)13-11(5-6-11)8(14)15/h4-7H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid?
1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103463422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).