3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid

C7H11NO3 — CID 59306549

IUPAC3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(N)=O)C1C(=O)O
InChIInChI=1S/C7H11NO3/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H2,8,9)(H,10,11)
InChIKeyCGKUBUVLQCVAKB-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

About 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid

3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 59306549) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID59306549
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(N)=O)C1C(=O)O
InChIInChI=1S/C7H11NO3/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H2,8,9)(H,10,11)
InChIKeyCGKUBUVLQCVAKB-UHFFFAOYSA-N
XLogP-0.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid (CID 59306549) is 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(N)=O)C1C(=O)O.
What is the InChIKey of 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is CGKUBUVLQCVAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H2,8,9)(H,10,11).
What are the key properties of 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid?
3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 59306549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).