2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid

C10H20N2O3 — CID 106916265

IUPAC2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)C(C)CN(C)CC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(9(13)11-3)5-12(4)6-8(2)10(14)15/h7-8H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyIKEMUQOUEKZCKW-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.02
Rot. Bonds6

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

2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid (PubChem CID 106916265) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
PubChem CID106916265
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
SMILESCNC(=O)C(C)CN(C)CC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(9(13)11-3)5-12(4)6-8(2)10(14)15/h7-8H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyIKEMUQOUEKZCKW-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726
N,2-dimethyl-3-[methyl(2-oxobutyl)amino]propanamide
CID 106916646
2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid
CID 106916306
N,2-dimethyl-3-[methyl-(3-methyl-2-oxopentyl)amino]propanamide
CID 106916626
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
N,2,5-trimethylhexanamide
CID 78065622
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917286
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
N,2-dimethyl-3-[methyl-[2-methyl-2-(methylamino)propanoyl]amino]propanamide
CID 106915340
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
CID 122120087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid (CID 106916265) is 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid is CNC(=O)C(C)CN(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is IKEMUQOUEKZCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(9(13)11-3)5-12(4)6-8(2)10(14)15/h7-8H,5-6H2,1-4H3,(H,11,13)(H,14,15).
What are the key properties of 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 106916265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).