trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid

C12H19NO4 — CID 98583524

IUPACtrans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)NCCOC1CCCC1
InChIInChI=1S/C12H19NO4/c14-11(9-7-10(9)12(15)16)13-5-6-17-8-3-1-2-4-8/h8-10H,1-7H2,(H,13,14)(H,15,16)/t9-,10-/m1/s1
InChIKeyQBLKAWJIAXKISX-NXEZZACHSA-N
MW241.29 g/mol
LogP0.78
Rot. Bonds6

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

trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 98583524) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID98583524
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametrans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)NCCOC1CCCC1
InChIInChI=1S/C12H19NO4/c14-11(9-7-10(9)12(15)16)13-5-6-17-8-3-1-2-4-8/h8-10H,1-7H2,(H,13,14)(H,15,16)/t9-,10-/m1/s1
InChIKeyQBLKAWJIAXKISX-NXEZZACHSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583525
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945281
2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 98583524) is trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)NCCOC1CCCC1.
What is the InChIKey of trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is QBLKAWJIAXKISX-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(9-7-10(9)12(15)16)13-5-6-17-8-3-1-2-4-8/h8-10H,1-7H2,(H,13,14)(H,15,16)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 98583524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).