2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid

C13H24N2O4 — CID 119200352

IUPAC2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid
SMILESCCCNC(=O)CCCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-9-14-10(16)7-6-8-11(17)15(4)13(2,3)12(18)19/h5-9H2,1-4H3,(H,14,16)(H,18,19)
InChIKeyNLKPNMWNUGWRSO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds8

About 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid

2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid (PubChem CID 119200352) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid
PubChem CID119200352
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid
SMILESCCCNC(=O)CCCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-9-14-10(16)7-6-8-11(17)15(4)13(2,3)12(18)19/h5-9H2,1-4H3,(H,14,16)(H,18,19)
InChIKeyNLKPNMWNUGWRSO-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[heptanoyl(methyl)amino]-2-methylpropanoic acid
CID 62817407
2-[4-(2,2-dimethylpropanoylamino)butanoyl-methylamino]-2-methylpropanoic acid
CID 62817602
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026
N,N'-dipropyldecanediamide
CID 102239298
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
CID 119205165
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
CID 119630025
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
ethane;N-propylheptanamide
CID 145289188
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247
2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid
CID 62819507
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid (CID 119200352) is 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid is CCCNC(=O)CCCC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid?
The InChIKey is NLKPNMWNUGWRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-9-14-10(16)7-6-8-11(17)15(4)13(2,3)12(18)19/h5-9H2,1-4H3,(H,14,16)(H,18,19).
What are the key properties of 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid is sourced from PubChem (CID 119200352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).