[(2S)-3-amino-2-methyl-3-oxopropyl] acetate

C6H11NO3 — CID 11205829

IUPAC[(2S)-3-amino-2-methyl-3-oxopropyl] acetate
SMILESCC(=O)OC[C@H](C)C(N)=O
InChIInChI=1S/C6H11NO3/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3,(H2,7,9)/t4-/m0/s1
InChIKeyASVZTGQTJBAGMQ-BYPYZUCNSA-N
MW145.16 g/mol
LogP-0.33
Rot. Bonds3

About [(2S)-3-amino-2-methyl-3-oxopropyl] acetate

[(2S)-3-amino-2-methyl-3-oxopropyl] acetate (PubChem CID 11205829) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(2S)-3-amino-2-methyl-3-oxopropyl] acetate.

Molecular Properties

Compound Name[(2S)-3-amino-2-methyl-3-oxopropyl] acetate
PubChem CID11205829
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(2S)-3-amino-2-methyl-3-oxopropyl] acetate
SMILESCC(=O)OC[C@H](C)C(N)=O
InChIInChI=1S/C6H11NO3/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3,(H2,7,9)/t4-/m0/s1
InChIKeyASVZTGQTJBAGMQ-BYPYZUCNSA-N
XLogP-0.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-3-amino-2-methyl-3-oxopropyl] acetate 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

3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
(2,3-diamino-3-oxopropyl) acetate
CID 130975644
2-methylpropyl acetate;hydrate
CID 86585368
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
2-hydroxypropyl acetate;mercury
CID 174858394
2-chloropropyl acetate
CID 527885
(2S)-3-acetyloxy-2-(propan-2-ylamino)propanoic acid
CID 88967378
ethyl acetate;2-methylpropanamide
CID 174848751
dichloromethane;2-methylpropyl acetate
CID 174845885
2-methylbutyl acetate
CID 90958828
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-amino-2-methyl-3-oxopropyl] acetate?
The IUPAC name of [(2S)-3-amino-2-methyl-3-oxopropyl] acetate (CID 11205829) is [(2S)-3-amino-2-methyl-3-oxopropyl] acetate.
What is the SMILES notation for [(2S)-3-amino-2-methyl-3-oxopropyl] acetate?
The canonical SMILES for [(2S)-3-amino-2-methyl-3-oxopropyl] acetate is CC(=O)OC[C@H](C)C(N)=O.
What is the InChIKey of [(2S)-3-amino-2-methyl-3-oxopropyl] acetate?
The InChIKey is ASVZTGQTJBAGMQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3,(H2,7,9)/t4-/m0/s1.
What are the key properties of [(2S)-3-amino-2-methyl-3-oxopropyl] acetate?
[(2S)-3-amino-2-methyl-3-oxopropyl] acetate has a molecular weight of 145.16 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-amino-2-methyl-3-oxopropyl] acetate is sourced from PubChem (CID 11205829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).