ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate

C10H19NO2 — CID 124638219

IUPACethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C)[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-4-13-10(12)9-6-5-7-11(3)8(9)2/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyUGUPQQZGDKKUFB-BDAKNGLRSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate

ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate (PubChem CID 124638219) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate
PubChem CID124638219
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C)[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-4-13-10(12)9-6-5-7-11(3)8(9)2/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyUGUPQQZGDKKUFB-BDAKNGLRSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
1-O-benzyl 3-O-ethyl (2S,3R)-2-methylpiperidine-1,3-dicarboxylate
CID 124582434
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate (CID 124638219) is ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C)[C@@H]1C.
What is the InChIKey of ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate?
The InChIKey is UGUPQQZGDKKUFB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-10(12)9-6-5-7-11(3)8(9)2/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate?
ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-1,2-dimethylpiperidine-3-carboxylate is sourced from PubChem (CID 124638219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).