methyl (3R)-3-acetamidopentanoate

C8H15NO3 — CID 11446607

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

About methyl (3R)-3-acetamidopentanoate

methyl (3R)-3-acetamidopentanoate (PubChem CID 11446607) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (3R)-3-acetamidopentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-acetamidopentanoate
PubChem CID11446607
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (3R)-3-acetamidopentanoate
SMILESCC[C@H](CC(=O)OC)NC(C)=O
InChIInChI=1S/C8H15NO3/c1-4-7(9-6(2)10)5-8(11)12-3/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKeyODOORCUGLHXXGC-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

Analyze methyl (3R)-3-acetamidopentanoate 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

methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 131853056
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
methyl 3-acetamido-12-methyltridecanoate
CID 568418
N-(2-acetamidobutyl)acetamide
CID 547374
N-[(2R)-2-acetamidobutyl]acetamide
CID 102008964
ethyl 4-acetamidohexanoate
CID 173385826
(2S)-4-methoxy-4-oxo-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 63307314
methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
CID 110476824
methyl 4-oxo-3-propanoylhexanoate
CID 50987809
ethyl 3-(carbamothioylamino)pentanoate
CID 142892451
N-[1-(diacetylamino)butan-2-yl]acetamide
CID 146198331
2-acetamidobutane-1-sulfonic acid
CID 174784866

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-acetamidopentanoate?
The IUPAC name of methyl (3R)-3-acetamidopentanoate (CID 11446607) is methyl (3R)-3-acetamidopentanoate.
What is the SMILES notation for methyl (3R)-3-acetamidopentanoate?
The canonical SMILES for methyl (3R)-3-acetamidopentanoate is CC[C@H](CC(=O)OC)NC(C)=O.
What is the InChIKey of methyl (3R)-3-acetamidopentanoate?
The InChIKey is ODOORCUGLHXXGC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-7(9-6(2)10)5-8(11)12-3/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1.
What are the key properties of methyl (3R)-3-acetamidopentanoate?
methyl (3R)-3-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 (3R)-3-acetamidopentanoate is sourced from PubChem (CID 11446607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).