2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid

C8H13NO3 — CID 64835556

IUPAC2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C8H13NO3/c1-8(2)4(6(10)9-3)5(8)7(11)12/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyRSUYBXQLHSDMIF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.09
Rot. Bonds2

About 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 64835556) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID64835556
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C8H13NO3/c1-8(2)4(6(10)9-3)5(8)7(11)12/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyRSUYBXQLHSDMIF-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106275598
cis-(1R,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041474
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834981
cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092184
3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836170
(3S)-3-carboxy-2,2-dimethylcyclopropane-1-carboxylate
CID 59116134
2,2-dimethyl-3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106334718
2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102903647
3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83229822
cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102246219

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid (CID 64835556) is 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid is CNC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is RSUYBXQLHSDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2)4(6(10)9-3)5(8)7(11)12/h4-5H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).