trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid

C14H23NO4 — CID 93365859

IUPACtrans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H23NO4/c16-13(11-9-12(11)14(17)18)15-7-4-8-19-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12-/m0/s1
InChIKeyYATCSOIEOOLNFX-RYUDHWBXSA-N
MW269.34 g/mol
LogP1.56
Rot. Bonds7

About trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 93365859) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID93365859
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametrans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H23NO4/c16-13(11-9-12(11)14(17)18)15-7-4-8-19-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12-/m0/s1
InChIKeyYATCSOIEOOLNFX-RYUDHWBXSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583525
trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583524
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
3-(3-cyclopentyloxypropylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 48913394
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185393
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
CID 86850695
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid (CID 93365859) is trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1C(=O)NCCCOC1CCCCC1.
What is the InChIKey of trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is YATCSOIEOOLNFX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(11-9-12(11)14(17)18)15-7-4-8-19-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93365859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).