trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid

C5H7NO3 — CID 13039560

IUPACtrans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
SMILESNC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H7NO3/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)/t2-,3-/m1/s1
InChIKeyWYCFAOQMGVSOAG-PWNYCUMCSA-N
MW129.11 g/mol
LogP-0.81
Rot. Bonds2

About trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid

trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid (PubChem CID 13039560) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
PubChem CID13039560
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Nametrans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
SMILESNC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H7NO3/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)/t2-,3-/m1/s1
InChIKeyWYCFAOQMGVSOAG-PWNYCUMCSA-N
XLogP-0.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid (CID 13039560) is trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid is NC(=O)[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid?
The InChIKey is WYCFAOQMGVSOAG-PWNYCUMCSA-N. The full InChI is InChI=1S/C5H7NO3/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)/t2-,3-/m1/s1.
What are the key properties of trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 13039560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).