3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid

C14H25NO3 — CID 65213623

IUPAC3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC2(O)CCCCC2)C1
InChIInChI=1S/C14H25NO3/c1-2-13(12(16)17)8-9-15(10-13)11-14(18)6-4-3-5-7-14/h18H,2-11H2,1H3,(H,16,17)
InChIKeyHHPMXHYPCSOJPN-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.87
Rot. Bonds4

About 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 65213623) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID65213623
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC2(O)CCCCC2)C1
InChIInChI=1S/C14H25NO3/c1-2-13(12(16)17)8-9-15(10-13)11-14(18)6-4-3-5-7-14/h18H,2-11H2,1H3,(H,16,17)
InChIKeyHHPMXHYPCSOJPN-UHFFFAOYSA-N
XLogP1.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,3-dimethylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 115825265
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
1-(2-cyanoethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148826
3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 63148391
3-ethyl-1-(2-ethylbutyl)pyrrolidine-3-carboxylic acid
CID 65063747
1-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65213674
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148645
3-ethyl-1-(4-methylsulfanylbutyl)pyrrolidine-3-carboxylic acid
CID 103090449
1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310913
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]acetic acid
CID 65213418

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid (CID 65213623) is 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC2(O)CCCCC2)C1.
What is the InChIKey of 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HHPMXHYPCSOJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-13(12(16)17)8-9-15(10-13)11-14(18)6-4-3-5-7-14/h18H,2-11H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65213623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).