methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate

C11H20N2O4 — CID 22880365

IUPACmethyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
SMILESCOC(=O)COC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H20N2O4/c1-8(12)11(15)13-5-3-9(4-6-13)17-7-10(14)16-2/h8-9H,3-7,12H2,1-2H3/t8-/m0/s1
InChIKeyITECRMDZFJGIJS-QMMMGPOBSA-N
MW244.29 g/mol
LogP-0.49
Rot. Bonds4

About methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate

methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate (PubChem CID 22880365) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
PubChem CID22880365
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
SMILESCOC(=O)COC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H20N2O4/c1-8(12)11(15)13-5-3-9(4-6-13)17-7-10(14)16-2/h8-9H,3-7,12H2,1-2H3/t8-/m0/s1
InChIKeyITECRMDZFJGIJS-QMMMGPOBSA-N
XLogP-0.49
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl N-(L-alanyl)-4-piperidinyloxy-acetate trifluoroacetate
CID 22880364
[[(2S)-1-[4-(2-methoxy-2-oxoethoxy)piperidin-1-yl]-1-oxopropan-2-yl]amino] 2,2,2-trifluoroacetate
CID 57029767
tert-butyl (3S)-3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate
CID 9977441
tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
CID 10085401
Tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate
CID 10333439
tert-butyl 2-[1-[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidin-4-yl]oxyacetate
CID 10455327
2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 18335634
Tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate
CID 18925477
2-[1-(2-Aminopropanoyl)piperidin-4-yl]oxyacetic acid
CID 22665771
[1-[4-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 22665921
methyl N-(tert-butyloxycarbonyl-L-alanyl)-4-piperidinyloxyacetate
CID 22880368
tert-butyl 2-[1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]piperidin-4-yl]oxyacetate
CID 53824413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate (CID 22880365) is methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate is COC(=O)COC1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
The InChIKey is ITECRMDZFJGIJS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(12)11(15)13-5-3-9(4-6-13)17-7-10(14)16-2/h8-9H,3-7,12H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate has a molecular weight of 244.29 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate is sourced from PubChem (CID 22880365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).