2-(3-methoxypropanoylamino)pentanoic acid

C9H17NO4 — CID 62589483

IUPAC2-(3-methoxypropanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CCOC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-7(9(12)13)10-8(11)5-6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyCTEXSTLDBASLHN-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds7

About 2-(3-methoxypropanoylamino)pentanoic acid

2-(3-methoxypropanoylamino)pentanoic acid (PubChem CID 62589483) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(3-methoxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3-methoxypropanoylamino)pentanoic acid
PubChem CID62589483
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(3-methoxypropanoylamino)pentanoic acid
SMILESCCCC(NC(=O)CCOC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-7(9(12)13)10-8(11)5-6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyCTEXSTLDBASLHN-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxypropanoylamino)pentanoic acid 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

2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 115923937
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
CID 107564387
2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid
CID 43630645
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropanoylamino)pentanoic acid?
The IUPAC name of 2-(3-methoxypropanoylamino)pentanoic acid (CID 62589483) is 2-(3-methoxypropanoylamino)pentanoic acid.
What is the SMILES notation for 2-(3-methoxypropanoylamino)pentanoic acid?
The canonical SMILES for 2-(3-methoxypropanoylamino)pentanoic acid is CCCC(NC(=O)CCOC)C(=O)O.
What is the InChIKey of 2-(3-methoxypropanoylamino)pentanoic acid?
The InChIKey is CTEXSTLDBASLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-7(9(12)13)10-8(11)5-6-14-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(3-methoxypropanoylamino)pentanoic acid?
2-(3-methoxypropanoylamino)pentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropanoylamino)pentanoic acid is sourced from PubChem (CID 62589483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).