methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate

C9H18N2O3 — CID 83881158

IUPACmethyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(O)CN
InChIInChI=1S/C9H18N2O3/c1-14-9(13)11-5-3-2-4-7(11)8(12)6-10/h7-8,12H,2-6,10H2,1H3
InChIKeyNUVPWJICSIWSIZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.07
Rot. Bonds2

About methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate

methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 83881158) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID83881158
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(O)CN
InChIInChI=1S/C9H18N2O3/c1-14-9(13)11-5-3-2-4-7(11)8(12)6-10/h7-8,12H,2-6,10H2,1H3
InChIKeyNUVPWJICSIWSIZ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83487205
benzyl 2-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006824
methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
methyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 102021668
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate
CID 115006762
methyl 2-(2-hydrazinylethyl)piperidine-1-carboxylate
CID 84670171
tert-butyl (2S)-2-[(1S)-1-hydroxybut-3-ynyl]pyrrolidine-1-carboxylate
CID 101001373
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714077
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate (CID 83881158) is methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate is COC(=O)N1CCCCC1C(O)CN.
What is the InChIKey of methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is NUVPWJICSIWSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-9(13)11-5-3-2-4-7(11)8(12)6-10/h7-8,12H,2-6,10H2,1H3.
What are the key properties of methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 83881158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).