1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid

C13H24N2O3 — CID 102907182

IUPAC1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)NC1(C(=O)O)CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)10(9(3)4)7-14-12(18)15-13(5-6-13)11(16)17/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyLUDNOAKMMJBIJO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.83
Rot. Bonds6

About 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid

1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid (PubChem CID 102907182) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
PubChem CID102907182
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)NC1(C(=O)O)CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)10(9(3)4)7-14-12(18)15-13(5-6-13)11(16)17/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyLUDNOAKMMJBIJO-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 83144099
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
4-methyl-1-(2,3,3-trimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 83142956
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
4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
CID 115293093
1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid
CID 115910126
4-(2-pyrrolidin-1-ylpropylcarbamoylamino)oxane-4-carboxylic acid
CID 115293317
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 103463422

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid (CID 102907182) is 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid is CC(C)C(CNC(=O)NC1(C(=O)O)CC1)C(C)C.
What is the InChIKey of 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is LUDNOAKMMJBIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)10(9(3)4)7-14-12(18)15-13(5-6-13)11(16)17/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid?
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).