methyl (2R)-3-amino-2-piperidin-1-ylpropanoate

C9H18N2O2 — CID 86664944

IUPACmethyl (2R)-3-amino-2-piperidin-1-ylpropanoate
SMILESCOC(=O)[C@@H](CN)N1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8(7-10)11-5-3-2-4-6-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyOYBRDESPSSXIEF-MRVPVSSYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds3

About methyl (2R)-3-amino-2-piperidin-1-ylpropanoate

methyl (2R)-3-amino-2-piperidin-1-ylpropanoate (PubChem CID 86664944) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (2R)-3-amino-2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-amino-2-piperidin-1-ylpropanoate
PubChem CID86664944
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl (2R)-3-amino-2-piperidin-1-ylpropanoate
SMILESCOC(=O)[C@@H](CN)N1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8(7-10)11-5-3-2-4-6-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyOYBRDESPSSXIEF-MRVPVSSYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl (4-amino-1-piperidinyl)acetate dihydrochloride
CID 44120477
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424
Methyl Piperazine-2-carboxylate
CID 2760426
Methyl 1-acetylpiperazine-2-carboxylate
CID 45115682
Methyl 1,4-dimethylpiperazine-2-carboxylate
CID 12295734
Methyl 2-(3-aminopiperidin-1-yl)acetate dihydrochloride
CID 75527804
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887
Methyl 2-amino-3-(piperidin-1-yl)propanoate dihydrochloride
CID 110209420
Methyl (S)-1-methylpiperazine-2-carboxylate dihydrochloride
CID 167735941
Methyl 3,6-dimethylpiperazine-2-carboxylate
CID 170913544

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-amino-2-piperidin-1-ylpropanoate?
The IUPAC name of methyl (2R)-3-amino-2-piperidin-1-ylpropanoate (CID 86664944) is methyl (2R)-3-amino-2-piperidin-1-ylpropanoate.
What is the SMILES notation for methyl (2R)-3-amino-2-piperidin-1-ylpropanoate?
The canonical SMILES for methyl (2R)-3-amino-2-piperidin-1-ylpropanoate is COC(=O)[C@@H](CN)N1CCCCC1.
What is the InChIKey of methyl (2R)-3-amino-2-piperidin-1-ylpropanoate?
The InChIKey is OYBRDESPSSXIEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-9(12)8(7-10)11-5-3-2-4-6-11/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-amino-2-piperidin-1-ylpropanoate?
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate has a molecular weight of 186.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-amino-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 86664944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).