2-[2-aminopropanoyl(methyl)amino]propanoic acid

C7H14N2O3 — CID 62637086

IUPAC2-[2-aminopropanoyl(methyl)amino]propanoic acid
SMILESCC(N)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(8)6(10)9(3)5(2)7(11)12/h4-5H,8H2,1-3H3,(H,11,12)
InChIKeyANRWMTSTGQGVON-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.73
Rot. Bonds3

About 2-[2-aminopropanoyl(methyl)amino]propanoic acid

2-[2-aminopropanoyl(methyl)amino]propanoic acid (PubChem CID 62637086) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[2-aminopropanoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-aminopropanoyl(methyl)amino]propanoic acid
PubChem CID62637086
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[2-aminopropanoyl(methyl)amino]propanoic acid
SMILESCC(N)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(8)6(10)9(3)5(2)7(11)12/h4-5H,8H2,1-3H3,(H,11,12)
InChIKeyANRWMTSTGQGVON-UHFFFAOYSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921
(2S)-2-[carbamoyl(methyl)amino]propanoic acid
CID 94520574
2-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]propanoic acid
CID 62638917
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide
CID 88791984
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
2-[methyl-(N'-methylcarbamimidoyl)amino]propanoic acid
CID 145181613
2-[[(2S)-2-aminopropanoyl]-methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 22818402
2-[methyl-[(2S)-2-phenylpropanoyl]amino]propanoic acid
CID 120686581

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminopropanoyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[2-aminopropanoyl(methyl)amino]propanoic acid (CID 62637086) is 2-[2-aminopropanoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-aminopropanoyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[2-aminopropanoyl(methyl)amino]propanoic acid is CC(N)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[2-aminopropanoyl(methyl)amino]propanoic acid?
The InChIKey is ANRWMTSTGQGVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(8)6(10)9(3)5(2)7(11)12/h4-5H,8H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-aminopropanoyl(methyl)amino]propanoic acid?
2-[2-aminopropanoyl(methyl)amino]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminopropanoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 62637086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).