methyl (2R)-2-acetamidopentanoate

C8H15NO3 — CID 11041195

IUPACmethyl (2R)-2-acetamidopentanoate
SMILESCCC[C@@H](NC(C)=O)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-4-5-7(8(11)12-3)9-6(2)10/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKeyMINSERPDAGICNH-SSDOTTSWSA-N
MW173.21 g/mol
LogP0.46
Rot. Bonds4

About methyl (2R)-2-acetamidopentanoate

methyl (2R)-2-acetamidopentanoate (PubChem CID 11041195) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (2R)-2-acetamidopentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamidopentanoate
PubChem CID11041195
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (2R)-2-acetamidopentanoate
SMILESCCC[C@@H](NC(C)=O)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-4-5-7(8(11)12-3)9-6(2)10/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKeyMINSERPDAGICNH-SSDOTTSWSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamidopentanoate?
The IUPAC name of methyl (2R)-2-acetamidopentanoate (CID 11041195) is methyl (2R)-2-acetamidopentanoate.
What is the SMILES notation for methyl (2R)-2-acetamidopentanoate?
The canonical SMILES for methyl (2R)-2-acetamidopentanoate is CCC[C@@H](NC(C)=O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-acetamidopentanoate?
The InChIKey is MINSERPDAGICNH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-5-7(8(11)12-3)9-6(2)10/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1.
What are the key properties of methyl (2R)-2-acetamidopentanoate?
methyl (2R)-2-acetamidopentanoate has a molecular weight of 173.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamidopentanoate is sourced from PubChem (CID 11041195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).