3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid

C11H21NO4 — CID 115731246

IUPAC3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-9(11(14)15)8-12(2)10(13)6-4-5-7-16-3/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyLSHDCJNTTGOQGM-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.98
Rot. Bonds8

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

3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 115731246) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID115731246
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-9(11(14)15)8-12(2)10(13)6-4-5-7-16-3/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyLSHDCJNTTGOQGM-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228574
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
2-methyl-3-[methyl(4-prop-2-enoxybutanoyl)amino]propanoic acid
CID 119228467
3-[5,5-dimethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228445
2-methyl-3-[methyl-[5-(4-methylsulfonylphenoxy)pentanoyl]amino]propanoic acid
CID 122111798
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
N-methyl-N-(2-methylpropyl)-5-propan-2-yloxypentanamide
CID 164715578
3-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119227817
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid (CID 115731246) is 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid is COCCCCC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is LSHDCJNTTGOQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(11(14)15)8-12(2)10(13)6-4-5-7-16-3/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid?
3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 115731246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).