methyl 2-(pentanoylamino)acetate

C8H15NO3 — CID 4629606

IUPACmethyl 2-(pentanoylamino)acetate
SMILESCCCCC(=O)NCC(=O)OC
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyXPKSXAOQLADAFH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.47
Rot. Bonds5

About methyl 2-(pentanoylamino)acetate

methyl 2-(pentanoylamino)acetate (PubChem CID 4629606) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(pentanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(pentanoylamino)acetate
PubChem CID4629606
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(pentanoylamino)acetate
SMILESCCCCC(=O)NCC(=O)OC
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyXPKSXAOQLADAFH-UHFFFAOYSA-N
XLogP0.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(pentanoylamino)acetate 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

Hexanoylglycine
CID 99463
Valerylglycine
CID 4737557
Hexadecanoylamino-acetic acid methyl ester
CID 10471679
Methyl (propionylamino)acetate
CID 533879
Methyl N-isovalerylglycine
CID 533941
Methyl 2-(hexanoylamino)acetate
CID 338209
N-Acetylnorvaline methyl ester
CID 150916
methyl (2R)-2-acetamidopentanoate
CID 11041195
L-Norleucine, N-acetyl-, methyl ester
CID 15610118
2-Acetylaminohexanoic acid, methyl ester
CID 559361
Glycine, N,N'-(1,6-dioxo-1,6-hexanediyl)bis-, diethyl ester
CID 4175978
Methyl 2-{5-[(2-methoxy-2-oxoethyl)carbamoyl]pentanamido}acetate
CID 3243567

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pentanoylamino)acetate?
The IUPAC name of methyl 2-(pentanoylamino)acetate (CID 4629606) is methyl 2-(pentanoylamino)acetate.
What is the SMILES notation for methyl 2-(pentanoylamino)acetate?
The canonical SMILES for methyl 2-(pentanoylamino)acetate is CCCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(pentanoylamino)acetate?
The InChIKey is XPKSXAOQLADAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-(pentanoylamino)acetate?
methyl 2-(pentanoylamino)acetate has a molecular weight of 173.21 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pentanoylamino)acetate is sourced from PubChem (CID 4629606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).