3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid

C9H18N2O5 — CID 81102712

IUPAC3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
SMILESCOCCCC(N)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-16-4-2-3-6(10)8(13)11-5-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyBIBUORDGOYXVOP-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.70
Rot. Bonds8

About 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid

3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid (PubChem CID 81102712) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
PubChem CID81102712
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
SMILESCOCCCC(N)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-16-4-2-3-6(10)8(13)11-5-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyBIBUORDGOYXVOP-UHFFFAOYSA-N
XLogP-1.70
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic 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-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
4-[(2-amino-3-methoxypropanoyl)amino]-2-hydroxybutanoic acid
CID 107836180
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-N-ethylsulfonyl-5-methoxypentanamide
CID 103307121
(2S)-2-hydroxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 107839392

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid (CID 81102712) is 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid is COCCCC(N)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is BIBUORDGOYXVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-16-4-2-3-6(10)8(13)11-5-7(12)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid?
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 234.25 g/mol, XLogP of -1.70, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 81102712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).