2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid

C10H19NO5 — CID 107832505

IUPAC2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid
SMILESCOC(C)CCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO5/c1-7(16-2)3-4-9(13)11-6-5-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeySBPSTLRIJNSTEJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.25
Rot. Bonds8

About 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid

2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid (PubChem CID 107832505) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid
PubChem CID107832505
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid
SMILESCOC(C)CCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO5/c1-7(16-2)3-4-9(13)11-6-5-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeySBPSTLRIJNSTEJ-UHFFFAOYSA-N
XLogP-0.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-(4-methoxypentanoylamino)butanoic 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

4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
2-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 107832677
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid (CID 107832505) is 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid is COC(C)CCC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid?
The InChIKey is SBPSTLRIJNSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(16-2)3-4-9(13)11-6-5-8(12)10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid?
2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid is sourced from PubChem (CID 107832505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).