methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate

C10H20N2O2 — CID 83982223

IUPACmethyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
SMILESCOC(=O)C(N)CC1CCCCN1C
InChIInChI=1S/C10H20N2O2/c1-12-6-4-3-5-8(12)7-9(11)10(13)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyKBDVESBESLXTHX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds3

About methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate

methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate (PubChem CID 83982223) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
PubChem CID83982223
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
SMILESCOC(=O)C(N)CC1CCCCN1C
InChIInChI=1S/C10H20N2O2/c1-12-6-4-3-5-8(12)7-9(11)10(13)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyKBDVESBESLXTHX-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 84715449
methyl (2S)-3-methyl-2-[(1-methylpiperidin-2-yl)methylamino]butanoate
CID 55099753
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate
CID 55100278
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate (CID 83982223) is methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate is COC(=O)C(N)CC1CCCCN1C.
What is the InChIKey of methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate?
The InChIKey is KBDVESBESLXTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12-6-4-3-5-8(12)7-9(11)10(13)14-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate?
methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.36, 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-(1-methylpiperidin-2-yl)propanoate is sourced from PubChem (CID 83982223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).