ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate

C9H17NO3 — CID 177219824

IUPACethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)[C@@H](NC)C1CCOC1
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)8(10-2)7-4-5-12-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyXJNRUCVZXZBPOB-MQWKRIRWSA-N
MW187.24 g/mol
LogP0.17
Rot. Bonds4

About ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate

ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate (PubChem CID 177219824) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate
PubChem CID177219824
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)[C@@H](NC)C1CCOC1
InChIInChI=1S/C9H17NO3/c1-3-13-9(11)8(10-2)7-4-5-12-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyXJNRUCVZXZBPOB-MQWKRIRWSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate?
The IUPAC name of ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate (CID 177219824) is ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate.
What is the SMILES notation for ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate?
The canonical SMILES for ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate is CCOC(=O)[C@@H](NC)C1CCOC1.
What is the InChIKey of ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate?
The InChIKey is XJNRUCVZXZBPOB-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-13-9(11)8(10-2)7-4-5-12-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate?
ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(methylamino)-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 177219824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).