ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate

C14H25NO3 — CID 65214071

IUPACethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC1(O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-2-18-13(16)12-7-6-10-15(12)11-14(17)8-4-3-5-9-14/h12,17H,2-11H2,1H3
InChIKeyCLEYEDJKFFZDDO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.71
Rot. Bonds4

About ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate

ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 65214071) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate
PubChem CID65214071
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC1(O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-2-18-13(16)12-7-6-10-15(12)11-14(17)8-4-3-5-9-14/h12,17H,2-11H2,1H3
InChIKeyCLEYEDJKFFZDDO-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-cyclohexylpropan-2-yl 1-cyanopyrrolidine-2-carboxylate
CID 44391459
tert-butyl (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 115537188
1-(cyclohexylmethyl)-L-Proline
CID 51440978
tert-butyl (2R)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylate
CID 80709743
1-(Cyclohexylmethyl)pyrrolidine-2-carboxylic acid,hydrochloride
CID 16243983
Methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 62027470
cyclohexyl (2S)-1-methylpyrrolidine-2-carboxylate
CID 138968104
1-(Tert-butyl) 2-(cyclohexylmethyl) pyrrolidine-1,2-dicarboxylate
CID 168301538
2-Propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 106978659
N-Boc-(4R)-4-(cyclohexylmethoxy)-L-proline
CID 11151578
(2S,4S)-4-(cyclohexylmethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 15222293
1-(2-Methoxyethyl)-4-pentylpyrrolidine-2-carboxylic acid
CID 18446316

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate (CID 65214071) is ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC1(O)CCCCC1.
What is the InChIKey of ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is CLEYEDJKFFZDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-18-13(16)12-7-6-10-15(12)11-14(17)8-4-3-5-9-14/h12,17H,2-11H2,1H3.
What are the key properties of ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate?
ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 65214071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).