2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid

C12H24N2O4 — CID 81101109

IUPAC2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(N)CCCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-5-9(12(16)17)8-14-11(15)10(13)6-4-7-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFWNCIWZFWXGXBA-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.36
Rot. Bonds10

About 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid

2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid (PubChem CID 81101109) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
PubChem CID81101109
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(N)CCCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-3-5-9(12(16)17)8-14-11(15)10(13)6-4-7-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFWNCIWZFWXGXBA-UHFFFAOYSA-N
XLogP0.36
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-amino-5-methoxypentanoic acid
CID 18361135
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
2-amino-N-ethylsulfonyl-5-methoxypentanamide
CID 103307121

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid (CID 81101109) is 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)C(N)CCCOC)C(=O)O.
What is the InChIKey of 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid?
The InChIKey is FWNCIWZFWXGXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-5-9(12(16)17)8-14-11(15)10(13)6-4-7-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid?
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.36, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81101109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).