3-(2-carboxyethylamino)-2-methylpropanoic acid

C7H13NO4 — CID 154090510

IUPAC3-(2-carboxyethylamino)-2-methylpropanoic acid
SMILESCC(CNCCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(11)12)4-8-3-2-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyDEVFWBUSVLNMCR-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.23
Rot. Bonds6

About 3-(2-carboxyethylamino)-2-methylpropanoic acid

3-(2-carboxyethylamino)-2-methylpropanoic acid (PubChem CID 154090510) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-(2-carboxyethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-carboxyethylamino)-2-methylpropanoic acid
PubChem CID154090510
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-(2-carboxyethylamino)-2-methylpropanoic acid
SMILESCC(CNCCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(11)12)4-8-3-2-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyDEVFWBUSVLNMCR-UHFFFAOYSA-N
XLogP-0.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
CID 43538375
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
CID 47003074
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
4-(2-methylpropylamino)butanoic acid
CID 18071581
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
CID 63966934
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747
3-[2-(4-fluorophenyl)ethylamino]-2-methylpropanoic acid
CID 43538395

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-carboxyethylamino)-2-methylpropanoic acid (CID 154090510) is 3-(2-carboxyethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-carboxyethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-carboxyethylamino)-2-methylpropanoic acid is CC(CNCCC(=O)O)C(=O)O.
What is the InChIKey of 3-(2-carboxyethylamino)-2-methylpropanoic acid?
The InChIKey is DEVFWBUSVLNMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(7(11)12)4-8-3-2-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-(2-carboxyethylamino)-2-methylpropanoic acid?
3-(2-carboxyethylamino)-2-methylpropanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 154090510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).