2-[heptanoyl(methyl)amino]propanoic acid

C11H21NO3 — CID 62626215

IUPAC2-[heptanoyl(methyl)amino]propanoic acid
SMILESCCCCCCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-8-10(13)12(3)9(2)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyAVFAQTJJXGNLNG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds7

About 2-[heptanoyl(methyl)amino]propanoic acid

2-[heptanoyl(methyl)amino]propanoic acid (PubChem CID 62626215) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[heptanoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[heptanoyl(methyl)amino]propanoic acid
PubChem CID62626215
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[heptanoyl(methyl)amino]propanoic acid
SMILESCCCCCCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-8-10(13)12(3)9(2)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyAVFAQTJJXGNLNG-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
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

(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406
bis[[(2S)-2-[methyl(octadecanoyl)amino]propanoyl]oxy]alumanyl (2S)-2-[methyl(octadecanoyl)amino]propanoate
CID 139835757
(2S)-4-methyl-2-[methyl(octanoyl)amino]pentanoic acid
CID 10945558
2-[methyl(tetradecanoyl)amino]pentanoic acid
CID 175341012
2-[6-acetamidohexanoyl(methyl)amino]propanoic acid
CID 55096871
(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
CID 97098347
(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
CID 54563283
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
CID 76928101
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924

Frequently Asked Questions

What is the IUPAC name of 2-[heptanoyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[heptanoyl(methyl)amino]propanoic acid (CID 62626215) is 2-[heptanoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[heptanoyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[heptanoyl(methyl)amino]propanoic acid is CCCCCCC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[heptanoyl(methyl)amino]propanoic acid?
The InChIKey is AVFAQTJJXGNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-6-7-8-10(13)12(3)9(2)11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[heptanoyl(methyl)amino]propanoic acid?
2-[heptanoyl(methyl)amino]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[heptanoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 62626215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).