methyl (2S)-2-[acetyl(methyl)amino]propanoate

C7H13NO3 — CID 54357781

IUPACmethyl (2S)-2-[acetyl(methyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-5(7(10)11-4)8(3)6(2)9/h5H,1-4H3/t5-/m0/s1
InChIKeyUKIKHEWVWGJTLN-YFKPBYRVSA-N
MW159.18 g/mol
LogP0.03
Rot. Bonds2

About methyl (2S)-2-[acetyl(methyl)amino]propanoate

methyl (2S)-2-[acetyl(methyl)amino]propanoate (PubChem CID 54357781) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (2S)-2-[acetyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[acetyl(methyl)amino]propanoate
PubChem CID54357781
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (2S)-2-[acetyl(methyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-5(7(10)11-4)8(3)6(2)9/h5H,1-4H3/t5-/m0/s1
InChIKeyUKIKHEWVWGJTLN-YFKPBYRVSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[acetyl(methyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[acetyl(methyl)amino]propanoate (CID 54357781) is methyl (2S)-2-[acetyl(methyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[acetyl(methyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[acetyl(methyl)amino]propanoate is COC(=O)[C@H](C)N(C)C(C)=O.
What is the InChIKey of methyl (2S)-2-[acetyl(methyl)amino]propanoate?
The InChIKey is UKIKHEWVWGJTLN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(7(10)11-4)8(3)6(2)9/h5H,1-4H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-[acetyl(methyl)amino]propanoate?
methyl (2S)-2-[acetyl(methyl)amino]propanoate has a molecular weight of 159.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[acetyl(methyl)amino]propanoate is sourced from PubChem (CID 54357781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).