[(2S)-4-oxopentan-2-yl] carbamate

C6H11NO3 — CID 175093409

IUPAC[(2S)-4-oxopentan-2-yl] carbamate
SMILESCC(=O)C[C@H](C)OC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(8)3-5(2)10-6(7)9/h5H,3H2,1-2H3,(H2,7,9)/t5-/m0/s1
InChIKeyAKHXLDNJFBWDEW-YFKPBYRVSA-N
MW145.16 g/mol
LogP0.45
Rot. Bonds3

About [(2S)-4-oxopentan-2-yl] carbamate

[(2S)-4-oxopentan-2-yl] carbamate (PubChem CID 175093409) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(2S)-4-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-4-oxopentan-2-yl] carbamate
PubChem CID175093409
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(2S)-4-oxopentan-2-yl] carbamate
SMILESCC(=O)C[C@H](C)OC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(8)3-5(2)10-6(7)9/h5H,3H2,1-2H3,(H2,7,9)/t5-/m0/s1
InChIKeyAKHXLDNJFBWDEW-YFKPBYRVSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-oxopentan-2-yl] carbamate?
The IUPAC name of [(2S)-4-oxopentan-2-yl] carbamate (CID 175093409) is [(2S)-4-oxopentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-4-oxopentan-2-yl] carbamate?
The canonical SMILES for [(2S)-4-oxopentan-2-yl] carbamate is CC(=O)C[C@H](C)OC(N)=O.
What is the InChIKey of [(2S)-4-oxopentan-2-yl] carbamate?
The InChIKey is AKHXLDNJFBWDEW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(8)3-5(2)10-6(7)9/h5H,3H2,1-2H3,(H2,7,9)/t5-/m0/s1.
What are the key properties of [(2S)-4-oxopentan-2-yl] carbamate?
[(2S)-4-oxopentan-2-yl] carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-oxopentan-2-yl] carbamate is sourced from PubChem (CID 175093409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).