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

C11H22N2O3 — CID 106916274

IUPAC3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)C(C)CN(C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)9(11(15)16)13(5)6-8(3)10(14)12-4/h7-9H,6H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyDRWDVVBONOHCOW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.41
Rot. Bonds6

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

3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid (PubChem CID 106916274) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
PubChem CID106916274
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)C(C)CN(C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)9(11(15)16)13(5)6-8(3)10(14)12-4/h7-9H,6H2,1-5H3,(H,12,14)(H,15,16)
InChIKeyDRWDVVBONOHCOW-UHFFFAOYSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209
methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
CID 103722524
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625
N,2-dimethyl-3-[methyl(2-oxobutyl)amino]propanamide
CID 106916646
3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914924
(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-(3-methyl-2-oxopentyl)amino]propanamide
CID 106916626
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
CID 97237748

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid (CID 106916274) is 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid is CNC(=O)C(C)CN(C)C(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid?
The InChIKey is DRWDVVBONOHCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)9(11(15)16)13(5)6-8(3)10(14)12-4/h7-9H,6H2,1-5H3,(H,12,14)(H,15,16).
What are the key properties of 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid?
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid is sourced from PubChem (CID 106916274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).