methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate

C10H20N2O2 — CID 80554034

IUPACmethyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](C)NCC1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14-2)12-7-9-4-3-5-11-6-9/h8-9,11-12H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyQDWULVMCNLQQAX-IENPIDJESA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds4

About methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate

methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate (PubChem CID 80554034) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
PubChem CID80554034
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](C)NCC1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14-2)12-7-9-4-3-5-11-6-9/h8-9,11-12H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyQDWULVMCNLQQAX-IENPIDJESA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
methyl (2S)-3-methyl-2-[(2-piperidin-3-ylacetyl)amino]butanoate
CID 62675949
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
2-(cyclohexylmethylamino)propanamide
CID 43216154
2-(piperidin-3-ylmethylamino)ethyl carbamate
CID 83211184
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate?
The IUPAC name of methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate (CID 80554034) is methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate is COC(=O)[C@H](C)NCC1CCCNC1.
What is the InChIKey of methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate?
The InChIKey is QDWULVMCNLQQAX-IENPIDJESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(10(13)14-2)12-7-9-4-3-5-11-6-9/h8-9,11-12H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate?
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate is sourced from PubChem (CID 80554034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).