2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid

C10H20N2O3 — CID 65228639

IUPAC2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid
SMILESCCC(CN)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-7(6-11)8(13)12(4)10(2,3)9(14)15/h7H,5-6,11H2,1-4H3,(H,14,15)
InChIKeyCTPKUKOFYNLAJD-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.29
Rot. Bonds5

About 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid

2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 65228639) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid
PubChem CID65228639
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid
SMILESCCC(CN)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-7(6-11)8(13)12(4)10(2,3)9(14)15/h7H,5-6,11H2,1-4H3,(H,14,15)
InChIKeyCTPKUKOFYNLAJD-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
CID 78917580
2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid
CID 62818134
4-ethyl-2,2-dimethylhexan-3-one
CID 15584308
(2S)-2-[2-(aminomethyl)butanoylamino]-3,3-dimethylbutanoic acid
CID 65228808
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62820937
2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid
CID 115730595
2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
CID 81088551
2-[(2-amino-2-methylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819720
N-tert-butyl-N-methyl-2-(methylaminomethyl)butanamide
CID 115188782
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylbutanamide
CID 62860792
2-[2-(2,2-dimethylpropanoylamino)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid (CID 65228639) is 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid is CCC(CN)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is CTPKUKOFYNLAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-7(6-11)8(13)12(4)10(2,3)9(14)15/h7H,5-6,11H2,1-4H3,(H,14,15).
What are the key properties of 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid?
2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65228639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).