2-(4-aminopentanoylamino)-5-methoxypentanoic acid

C11H22N2O4 — CID 81077924

IUPAC2-(4-aminopentanoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CCC(C)N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(12)5-6-10(14)13-9(11(15)16)4-3-7-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYFPRCCHWOKNLMA-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.11
Rot. Bonds9

About 2-(4-aminopentanoylamino)-5-methoxypentanoic acid

2-(4-aminopentanoylamino)-5-methoxypentanoic acid (PubChem CID 81077924) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-aminopentanoylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(4-aminopentanoylamino)-5-methoxypentanoic acid
PubChem CID81077924
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-(4-aminopentanoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CCC(C)N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(12)5-6-10(14)13-9(11(15)16)4-3-7-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYFPRCCHWOKNLMA-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.11
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

5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
2-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
5-methoxy-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 81076582
2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
CID 81084032
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
(2R)-2-(4-methoxybutanoylamino)-4-methylsulfanylbutanoic acid
CID 104906195

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopentanoylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(4-aminopentanoylamino)-5-methoxypentanoic acid (CID 81077924) is 2-(4-aminopentanoylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(4-aminopentanoylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(4-aminopentanoylamino)-5-methoxypentanoic acid is COCCCC(NC(=O)CCC(C)N)C(=O)O.
What is the InChIKey of 2-(4-aminopentanoylamino)-5-methoxypentanoic acid?
The InChIKey is YFPRCCHWOKNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(12)5-6-10(14)13-9(11(15)16)4-3-7-17-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(4-aminopentanoylamino)-5-methoxypentanoic acid?
2-(4-aminopentanoylamino)-5-methoxypentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentanoylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 81077924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).