methyl (3R)-3-acetamidobutanoate

C7H13NO3 — CID 11275152

IUPACmethyl (3R)-3-acetamidobutanoate
SMILESCOC(=O)C[C@@H](C)NC(C)=O
InChIInChI=1S/C7H13NO3/c1-5(8-6(2)9)4-7(10)11-3/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyZHKPSUPZUILMOG-RXMQYKEDSA-N
MW159.18 g/mol
LogP0.07
Rot. Bonds3

About methyl (3R)-3-acetamidobutanoate

methyl (3R)-3-acetamidobutanoate (PubChem CID 11275152) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (3R)-3-acetamidobutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-acetamidobutanoate
PubChem CID11275152
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (3R)-3-acetamidobutanoate
SMILESCOC(=O)C[C@@H](C)NC(C)=O
InChIInChI=1S/C7H13NO3/c1-5(8-6(2)9)4-7(10)11-3/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyZHKPSUPZUILMOG-RXMQYKEDSA-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 methyl (3R)-3-acetamidobutanoate?
The IUPAC name of methyl (3R)-3-acetamidobutanoate (CID 11275152) is methyl (3R)-3-acetamidobutanoate.
What is the SMILES notation for methyl (3R)-3-acetamidobutanoate?
The canonical SMILES for methyl (3R)-3-acetamidobutanoate is COC(=O)C[C@@H](C)NC(C)=O.
What is the InChIKey of methyl (3R)-3-acetamidobutanoate?
The InChIKey is ZHKPSUPZUILMOG-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(8-6(2)9)4-7(10)11-3/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1.
What are the key properties of methyl (3R)-3-acetamidobutanoate?
methyl (3R)-3-acetamidobutanoate 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 methyl (3R)-3-acetamidobutanoate is sourced from PubChem (CID 11275152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).