cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid

C5H7NO3 — CID 93311791

IUPACcis-(1R,2S)-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+/m0/s1
InChIKeyWYCFAOQMGVSOAG-STHAYSLISA-N
MW129.11 g/mol
LogP-0.81
Rot. Bonds2

About cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid

cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid (PubChem CID 93311791) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid
PubChem CID93311791
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Namecis-(1R,2S)-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+/m0/s1
InChIKeyWYCFAOQMGVSOAG-STHAYSLISA-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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Related Compounds

Rac-(1r,2r)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560
2-Carbamoylcyclopropane-1-carboxylic acid
CID 13039559
2-(2-Amino-2-oxoethyl)butanedioic acid
CID 19038636
3-Carbamoyl-2,2-dimethylcyclopropanecarboxylic acid
CID 59306549
trans-(1S,2S)-2-carbamoylcyclopropane-1-carboxylic acid
CID 89577996
2-Carbamoyl-2,3-dimethylcyclopropane-1-carboxylic acid
CID 123610735
3-Carbamoyl-2,2-dichlorocyclopropane-1-carboxylic acid
CID 140497851
2-(Iodocarbamoyl)cyclopropane-1-carboxylic acid
CID 143206767
trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate
CID 167023160
5-Amino-3-carbamoyl-5-oxopentanoic acid
CID 174470938
trans-(1S,2S)-2-carbamoyl-1,2-dimethylcyclopropane-1-carboxylic acid
CID 23423031
(1S,2R)-2-Carbamoylcyclopropanecarboxylic acid
CID 55288875

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid (CID 93311791) is cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid is NC(=O)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid?
The InChIKey is WYCFAOQMGVSOAG-STHAYSLISA-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+/m0/s1.
What are the key properties of cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid?
cis-(1R,2S)-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 cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 93311791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).