2-methyl-3-[methyl(nonanoyl)amino]propanoic acid

C14H27NO3 — CID 55008354

IUPAC2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
SMILESCCCCCCCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-9-10-13(16)15(3)11-12(2)14(17)18/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyZMSNFBRNSLUBLR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.92
Rot. Bonds10

About 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid

2-methyl-3-[methyl(nonanoyl)amino]propanoic acid (PubChem CID 55008354) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
PubChem CID55008354
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
SMILESCCCCCCCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-9-10-13(16)15(3)11-12(2)14(17)18/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyZMSNFBRNSLUBLR-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
CID 115731246
N-(2-chloropropyl)-N-methylhexanamide
CID 63394168
3-[5,5-dimethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228445
N-(3-amino-2-methylpropyl)-N-methyldecanamide
CID 65448907
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid (CID 55008354) is 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid is CCCCCCCCC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid?
The InChIKey is ZMSNFBRNSLUBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-5-6-7-8-9-10-13(16)15(3)11-12(2)14(17)18/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid?
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(nonanoyl)amino]propanoic acid is sourced from PubChem (CID 55008354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).