[(2S)-1-acetamidopropan-2-yl] acetate

C7H13NO3 — CID 14598671

IUPAC[(2S)-1-acetamidopropan-2-yl] acetate
SMILESCC(=O)NC[C@H](C)OC(C)=O
InChIInChI=1S/C7H13NO3/c1-5(11-7(3)10)4-8-6(2)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyQRMDGZJQVBBREP-YFKPBYRVSA-N
MW159.18 g/mol
LogP0.07
Rot. Bonds3

About [(2S)-1-acetamidopropan-2-yl] acetate

[(2S)-1-acetamidopropan-2-yl] acetate (PubChem CID 14598671) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is [(2S)-1-acetamidopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-acetamidopropan-2-yl] acetate
PubChem CID14598671
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name[(2S)-1-acetamidopropan-2-yl] acetate
SMILESCC(=O)NC[C@H](C)OC(C)=O
InChIInChI=1S/C7H13NO3/c1-5(11-7(3)10)4-8-6(2)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyQRMDGZJQVBBREP-YFKPBYRVSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-acetamidopropan-2-yl] acetate?
The IUPAC name of [(2S)-1-acetamidopropan-2-yl] acetate (CID 14598671) is [(2S)-1-acetamidopropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-acetamidopropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-acetamidopropan-2-yl] acetate is CC(=O)NC[C@H](C)OC(C)=O.
What is the InChIKey of [(2S)-1-acetamidopropan-2-yl] acetate?
The InChIKey is QRMDGZJQVBBREP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(11-7(3)10)4-8-6(2)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1.
What are the key properties of [(2S)-1-acetamidopropan-2-yl] acetate?
[(2S)-1-acetamidopropan-2-yl] acetate has a molecular weight of 159.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-acetamidopropan-2-yl] acetate is sourced from PubChem (CID 14598671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).