2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid

C15H27NO3 — CID 102903647

IUPAC2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)C1C(C(=O)O)C1(C)C)C(C)C
InChIInChI=1S/C15H27NO3/c1-8(2)10(9(3)4)7-16-13(17)11-12(14(18)19)15(11,5)6/h8-12H,7H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyYRRUYVSESZGQDW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.39
Rot. Bonds6

About 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 102903647) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID102903647
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)C1C(C(=O)O)C1(C)C)C(C)C
InChIInChI=1S/C15H27NO3/c1-8(2)10(9(3)4)7-16-13(17)11-12(14(18)19)15(11,5)6/h8-12H,7H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyYRRUYVSESZGQDW-UHFFFAOYSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114132555
3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114145229
2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835619
3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836170
cis-(1R,3S)-3-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065623
3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106275598
cis-(1R,3S)-3-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091737
2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835556
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
3-(hexan-2-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836957
3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834806
3-[(1-carboxy-3-methylbutyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835622

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 102903647) is 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)C(CNC(=O)C1C(C(=O)O)C1(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YRRUYVSESZGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-8(2)10(9(3)4)7-16-13(17)11-12(14(18)19)15(11,5)6/h8-12H,7H2,1-6H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102903647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).