2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid

C10H20N2O3 — CID 64678637

IUPAC2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)CC(C)(C)N
InChIInChI=1S/C10H20N2O3/c1-5-7(9(14)15)12(4)8(13)6-10(2,3)11/h7H,5-6,11H2,1-4H3,(H,14,15)
InChIKeyQPLAUPXHGNOXHR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.44
Rot. Bonds5

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

2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid (PubChem CID 64678637) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid
PubChem CID64678637
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)CC(C)(C)N
InChIInChI=1S/C10H20N2O3/c1-5-7(9(14)15)12(4)8(13)6-10(2,3)11/h7H,5-6,11H2,1-4H3,(H,14,15)
InChIKeyQPLAUPXHGNOXHR-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-methylbutanoyl)-methylamino]butanoic acid
CID 79811094
2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid
CID 79812427
2-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79261617
2-[methyl-(2-propoxyacetyl)amino]butanoic acid
CID 107937887
2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid
CID 114943536
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
CID 103188745
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid
CID 113293259
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoic acid
CID 103205929
2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid
CID 107145294
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid (CID 64678637) is 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)CC(C)(C)N.
What is the InChIKey of 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid?
The InChIKey is QPLAUPXHGNOXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-7(9(14)15)12(4)8(13)6-10(2,3)11/h7H,5-6,11H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid?
2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid is sourced from PubChem (CID 64678637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).