3-[carboxymethyl(methyl)amino]propanoic acid

C6H11NO4 — CID 54557646

IUPAC3-[carboxymethyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(4-6(10)11)3-2-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyZOHAPDDPDSPUTE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.52
Rot. Bonds5

About 3-[carboxymethyl(methyl)amino]propanoic acid

3-[carboxymethyl(methyl)amino]propanoic acid (PubChem CID 54557646) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-[carboxymethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl(methyl)amino]propanoic acid
PubChem CID54557646
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-[carboxymethyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(4-6(10)11)3-2-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyZOHAPDDPDSPUTE-UHFFFAOYSA-N
XLogP-0.52
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid
CID 15678371
3-[2,3-dichloroprop-2-enyl(methyl)amino]propanoic acid
CID 79173884
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986775
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088
2-[2-formamidoethyl(methyl)amino]acetic acid
CID 118297504
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[carboxymethyl(methyl)amino]propanoic acid (CID 54557646) is 3-[carboxymethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[carboxymethyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[carboxymethyl(methyl)amino]propanoic acid is CN(CCC(=O)O)CC(=O)O.
What is the InChIKey of 3-[carboxymethyl(methyl)amino]propanoic acid?
The InChIKey is ZOHAPDDPDSPUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7(4-6(10)11)3-2-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-[carboxymethyl(methyl)amino]propanoic acid?
3-[carboxymethyl(methyl)amino]propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl(methyl)amino]propanoic acid is sourced from PubChem (CID 54557646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).