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

C12H23NO3 — CID 82985471

IUPAC3-[methyl(2-propylpentanoyl)amino]propanoic acid
SMILESCCCC(CCC)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-6-10(7-5-2)12(16)13(3)9-8-11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyLPCICWLJYYNVCX-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.14
Rot. Bonds8

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

3-[methyl(2-propylpentanoyl)amino]propanoic acid (PubChem CID 82985471) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[methyl(2-propylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2-propylpentanoyl)amino]propanoic acid
PubChem CID82985471
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[methyl(2-propylpentanoyl)amino]propanoic acid
SMILESCCCC(CCC)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-6-10(7-5-2)12(16)13(3)9-8-11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyLPCICWLJYYNVCX-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
CID 107202800
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
N-(5-chloropentyl)-N-methyl-2-propylpentanamide
CID 107205571
3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
CID 119232901
N-(cyanomethyl)-N-methyl-2-propylpentanamide
CID 115532829
3-[methyl-[2-(2-methylpentanoylamino)ethylcarbamoyl]amino]propanoic acid
CID 122015297
3-[dipropylcarbamoyl(methyl)amino]propanoic acid
CID 61183046
3-[(6-amino-2-methylheptanoyl)-methylamino]propanoic acid
CID 65291161
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
CID 82987182
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
CID 168943795
(4R)-4-carbamoylheptanoic acid
CID 171618269

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-propylpentanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(2-propylpentanoyl)amino]propanoic acid (CID 82985471) is 3-[methyl(2-propylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(2-propylpentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(2-propylpentanoyl)amino]propanoic acid is CCCC(CCC)C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(2-propylpentanoyl)amino]propanoic acid?
The InChIKey is LPCICWLJYYNVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-6-10(7-5-2)12(16)13(3)9-8-11(14)15/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-[methyl(2-propylpentanoyl)amino]propanoic acid?
3-[methyl(2-propylpentanoyl)amino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-propylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 82985471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).