ethyl (3S)-1-hydroxypiperidine-3-carboxylate

C8H15NO3 — CID 142359331

IUPACethyl (3S)-1-hydroxypiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(O)C1
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)7-4-3-5-9(11)6-7/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeyYXDSXYLNJXBQFK-ZETCQYMHSA-N
MW173.21 g/mol
LogP0.65
Rot. Bonds2

About ethyl (3S)-1-hydroxypiperidine-3-carboxylate

ethyl (3S)-1-hydroxypiperidine-3-carboxylate (PubChem CID 142359331) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (3S)-1-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-hydroxypiperidine-3-carboxylate
PubChem CID142359331
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (3S)-1-hydroxypiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(O)C1
InChIInChI=1S/C8H15NO3/c1-2-12-8(10)7-4-3-5-9(11)6-7/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeyYXDSXYLNJXBQFK-ZETCQYMHSA-N
XLogP0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3S)-1-hydroxypiperidine-3-carboxylate 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

ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-hydroxypiperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-hydroxypiperidine-3-carboxylate (CID 142359331) is ethyl (3S)-1-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-hydroxypiperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-hydroxypiperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(O)C1.
What is the InChIKey of ethyl (3S)-1-hydroxypiperidine-3-carboxylate?
The InChIKey is YXDSXYLNJXBQFK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-12-8(10)7-4-3-5-9(11)6-7/h7,11H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of ethyl (3S)-1-hydroxypiperidine-3-carboxylate?
ethyl (3S)-1-hydroxypiperidine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 142359331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).