methyl 2-amino-3-piperidin-1-ylpropanoate

C9H18N2O2 — CID 10988984

IUPACmethyl 2-amino-3-piperidin-1-ylpropanoate
SMILESCOC(=O)C(N)CN1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8(10)7-11-5-3-2-4-6-11/h8H,2-7,10H2,1H3
InChIKeyBZBYKPDYYXSBIQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds3

About methyl 2-amino-3-piperidin-1-ylpropanoate

methyl 2-amino-3-piperidin-1-ylpropanoate (PubChem CID 10988984) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-amino-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-piperidin-1-ylpropanoate
PubChem CID10988984
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 2-amino-3-piperidin-1-ylpropanoate
SMILESCOC(=O)C(N)CN1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8(10)7-11-5-3-2-4-6-11/h8H,2-7,10H2,1H3
InChIKeyBZBYKPDYYXSBIQ-UHFFFAOYSA-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

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methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 55141166
methyl 3-methyl-2-(pyrrolidin-1-ylmethyl)butanoate
CID 117242456
2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 81088313
methyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539347
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63165298
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-piperidin-1-ylpropanoate?
The IUPAC name of methyl 2-amino-3-piperidin-1-ylpropanoate (CID 10988984) is methyl 2-amino-3-piperidin-1-ylpropanoate.
What is the SMILES notation for methyl 2-amino-3-piperidin-1-ylpropanoate?
The canonical SMILES for methyl 2-amino-3-piperidin-1-ylpropanoate is COC(=O)C(N)CN1CCCCC1.
What is the InChIKey of methyl 2-amino-3-piperidin-1-ylpropanoate?
The InChIKey is BZBYKPDYYXSBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-9(12)8(10)7-11-5-3-2-4-6-11/h8H,2-7,10H2,1H3.
What are the key properties of methyl 2-amino-3-piperidin-1-ylpropanoate?
methyl 2-amino-3-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 2-amino-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 10988984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).