3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid

C9H15NO4 — CID 82329721

IUPAC3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
SMILESC=C(C)CN(CCC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO4/c1-7(2)5-10(6-9(13)14)4-3-8(11)12/h1,3-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyLCIZBMVVXJQYFQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.42
Rot. Bonds7

About 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid

3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid (PubChem CID 82329721) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
PubChem CID82329721
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
SMILESC=C(C)CN(CCC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO4/c1-7(2)5-10(6-9(13)14)4-3-8(11)12/h1,3-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyLCIZBMVVXJQYFQ-UHFFFAOYSA-N
XLogP0.42
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
3-[2-[2-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid;trihydrate
CID 21478019
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
acetic acid;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene
CID 173039893
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;formaldehyde
CID 87841123
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene
CID 158664985
3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
3-[(2-chlorophenyl)methyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329777
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hexanedioic acid
CID 88599589

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid?
The IUPAC name of 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid (CID 82329721) is 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid?
The canonical SMILES for 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid is C=C(C)CN(CCC(=O)O)CC(=O)O.
What is the InChIKey of 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid?
The InChIKey is LCIZBMVVXJQYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-7(2)5-10(6-9(13)14)4-3-8(11)12/h1,3-6H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid?
3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 82329721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).