2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid

C11H22N2O4 — CID 81088551

IUPAC2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
SMILESCOCCCC(N)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,10(15)16)13(3)9(14)8(12)6-5-7-17-4/h8H,5-7,12H2,1-4H3,(H,15,16)
InChIKeyGSEKUYXRDSEAPU-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.06
Rot. Bonds7

About 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid

2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid (PubChem CID 81088551) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
PubChem CID81088551
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
SMILESCOCCCC(N)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,10(15)16)13(3)9(14)8(12)6-5-7-17-4/h8H,5-7,12H2,1-4H3,(H,15,16)
InChIKeyGSEKUYXRDSEAPU-UHFFFAOYSA-N
XLogP0.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818
2-amino-5-methoxypentanoic acid
CID 18361135
2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid
CID 62818134
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
CID 81088213
2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
CID 78917580
2-amino-N-ethyl-5-methoxy-N-propan-2-ylpentanamide
CID 81081261
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
2-amino-N-(4-ethylcyclohexyl)-5-methoxy-N-methylpentanamide
CID 81088714
2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64603274
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
CID 81082232

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid (CID 81088551) is 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid is COCCCC(N)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is GSEKUYXRDSEAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,10(15)16)13(3)9(14)8(12)6-5-7-17-4/h8H,5-7,12H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid?
2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 81088551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).