methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate

C6H11NO5 — CID 155065412

IUPACmethyl (2S)-2-(aminomethoxycarbonyloxy)propanoate
SMILESCOC(=O)[C@H](C)OC(=O)OCN
InChIInChI=1S/C6H11NO5/c1-4(5(8)10-2)12-6(9)11-3-7/h4H,3,7H2,1-2H3/t4-/m0/s1
InChIKeyYQPNTYUXVODUAA-BYPYZUCNSA-N
MW177.16 g/mol
LogP-0.38
Rot. Bonds3

About methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate

methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate (PubChem CID 155065412) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(aminomethoxycarbonyloxy)propanoate
PubChem CID155065412
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Namemethyl (2S)-2-(aminomethoxycarbonyloxy)propanoate
SMILESCOC(=O)[C@H](C)OC(=O)OCN
InChIInChI=1S/C6H11NO5/c1-4(5(8)10-2)12-6(9)11-3-7/h4H,3,7H2,1-2H3/t4-/m0/s1
InChIKeyYQPNTYUXVODUAA-BYPYZUCNSA-N
XLogP-0.38
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate?
The IUPAC name of methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate (CID 155065412) is methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate.
What is the SMILES notation for methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate?
The canonical SMILES for methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate is COC(=O)[C@H](C)OC(=O)OCN.
What is the InChIKey of methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate?
The InChIKey is YQPNTYUXVODUAA-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO5/c1-4(5(8)10-2)12-6(9)11-3-7/h4H,3,7H2,1-2H3/t4-/m0/s1.
What are the key properties of methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate?
methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate has a molecular weight of 177.16 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate is sourced from PubChem (CID 155065412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).