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

C7H11NO3 — CID 123610735

IUPAC2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1C(C(=O)O)C1(C)C(N)=O
InChIInChI=1S/C7H11NO3/c1-3-4(5(9)10)7(3,2)6(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10)
InChIKeyRLRRRCWNDLZTSD-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

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

2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 123610735) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID123610735
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1C(C(=O)O)C1(C)C(N)=O
InChIInChI=1S/C7H11NO3/c1-3-4(5(9)10)7(3,2)6(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10)
InChIKeyRLRRRCWNDLZTSD-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 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid (CID 123610735) is 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid is CC1C(C(=O)O)C1(C)C(N)=O.
What is the InChIKey of 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is RLRRRCWNDLZTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4(5(9)10)7(3,2)6(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid?
2-carbamoyl-2,3-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 2-carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 123610735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).