2-[3-aminobutanoyl(methyl)amino]acetic acid

C7H14N2O3 — CID 61159500

IUPAC2-[3-aminobutanoyl(methyl)amino]acetic acid
SMILESCC(N)CC(=O)N(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(8)3-6(10)9(2)4-7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyWGRYLLBDLBBJLT-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.73
Rot. Bonds4

About 2-[3-aminobutanoyl(methyl)amino]acetic acid

2-[3-aminobutanoyl(methyl)amino]acetic acid (PubChem CID 61159500) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[3-aminobutanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-aminobutanoyl(methyl)amino]acetic acid
PubChem CID61159500
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[3-aminobutanoyl(methyl)amino]acetic acid
SMILESCC(N)CC(=O)N(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(8)3-6(10)9(2)4-7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12)
InChIKeyWGRYLLBDLBBJLT-UHFFFAOYSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-4-methylpentanoyl)-methylamino]acetic acid
CID 115729781
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
CID 88764935
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
CID 87629075
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
CID 120872786
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminobutanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[3-aminobutanoyl(methyl)amino]acetic acid (CID 61159500) is 2-[3-aminobutanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[3-aminobutanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[3-aminobutanoyl(methyl)amino]acetic acid is CC(N)CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[3-aminobutanoyl(methyl)amino]acetic acid?
The InChIKey is WGRYLLBDLBBJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(8)3-6(10)9(2)4-7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12).
What are the key properties of 2-[3-aminobutanoyl(methyl)amino]acetic acid?
2-[3-aminobutanoyl(methyl)amino]acetic acid has a molecular weight of 174.20 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminobutanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 61159500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).