trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid

C10H15NO3 — CID 93311543

IUPACtrans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C10H15NO3/c12-9(7-6-8(7)10(13)14)11-4-2-1-3-5-11/h7-8H,1-6H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyVYZIZCHBSRPEEM-HTQZYQBOSA-N
MW197.23 g/mol
LogP0.72
Rot. Bonds2

About trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 93311543) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID93311543
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nametrans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C10H15NO3/c12-9(7-6-8(7)10(13)14)11-4-2-1-3-5-11/h7-8H,1-6H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyVYZIZCHBSRPEEM-HTQZYQBOSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
cis-(1R,2S)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119641
trans-(1R,2R)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119643
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 129467392
[(2S)-2-fluorocyclopropyl]-piperidin-1-ylmethanone
CID 154357198
2-(2,5-dihydropyrrole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 131160531

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 93311543) is trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)N1CCCCC1.
What is the InChIKey of trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is VYZIZCHBSRPEEM-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9(7-6-8(7)10(13)14)11-4-2-1-3-5-11/h7-8H,1-6H2,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93311543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).