2-(3-methoxypropanoylamino)pentanedioic acid

C9H15NO6 — CID 62590397

IUPAC2-(3-methoxypropanoylamino)pentanedioic acid
SMILESCOCCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15NO6/c1-16-5-4-7(11)10-6(9(14)15)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAEFDKLIJSVJKCN-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.54
Rot. Bonds8

About 2-(3-methoxypropanoylamino)pentanedioic acid

2-(3-methoxypropanoylamino)pentanedioic acid (PubChem CID 62590397) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(3-methoxypropanoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(3-methoxypropanoylamino)pentanedioic acid
PubChem CID62590397
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name2-(3-methoxypropanoylamino)pentanedioic acid
SMILESCOCCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C9H15NO6/c1-16-5-4-7(11)10-6(9(14)15)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyAEFDKLIJSVJKCN-UHFFFAOYSA-N
XLogP-0.54
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxypropanoylamino)pentanedioic 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)pentanoic acid
CID 62589483
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
18-[[1-carboxy-4-(2-methoxyethylamino)-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 59576346
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
(E)-2-(3-methoxypropanoylamino)hex-4-enoic acid
CID 120693576
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-[(2-amino-3-methoxypropanoyl)amino]pentanedioic acid
CID 81089262
2-[(2-ethoxyacetyl)amino]pentanedioic acid
CID 60831138
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropanoylamino)pentanedioic acid?
The IUPAC name of 2-(3-methoxypropanoylamino)pentanedioic acid (CID 62590397) is 2-(3-methoxypropanoylamino)pentanedioic acid.
What is the SMILES notation for 2-(3-methoxypropanoylamino)pentanedioic acid?
The canonical SMILES for 2-(3-methoxypropanoylamino)pentanedioic acid is COCCC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(3-methoxypropanoylamino)pentanedioic acid?
The InChIKey is AEFDKLIJSVJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-16-5-4-7(11)10-6(9(14)15)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-(3-methoxypropanoylamino)pentanedioic acid?
2-(3-methoxypropanoylamino)pentanedioic acid has a molecular weight of 233.22 g/mol, XLogP of -0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropanoylamino)pentanedioic acid is sourced from PubChem (CID 62590397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).