trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid

C7H11NO3 — CID 23423031

IUPACtrans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(N)=O)C[C@]1(C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-6(4(8)9)3-7(6,2)5(10)11/h3H2,1-2H3,(H2,8,9)(H,10,11)/t6-,7-/m1/s1
InChIKeyXSIBZYAFHPMRAP-RNFRBKRXSA-N
MW157.17 g/mol
LogP-0.03
Rot. Bonds2

About trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid

trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 23423031) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID23423031
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nametrans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(N)=O)C[C@]1(C)C(=O)O
InChIInChI=1S/C7H11NO3/c1-6(4(8)9)3-7(6,2)5(10)11/h3H2,1-2H3,(H2,8,9)(H,10,11)/t6-,7-/m1/s1
InChIKeyXSIBZYAFHPMRAP-RNFRBKRXSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid (CID 23423031) is trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid is C[C@]1(C(N)=O)C[C@]1(C)C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is XSIBZYAFHPMRAP-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(4(8)9)3-7(6,2)5(10)11/h3H2,1-2H3,(H2,8,9)(H,10,11)/t6-,7-/m1/s1.
What are the key properties of trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 23423031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).