2-[2-carboxyethyl(propyl)amino]propanoic acid

C9H17NO4 — CID 82328060

IUPAC2-[2-carboxyethyl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-5-10(6-4-8(11)12)7(2)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySAVVRAOQBDEUTH-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.65
Rot. Bonds7

About 2-[2-carboxyethyl(propyl)amino]propanoic acid

2-[2-carboxyethyl(propyl)amino]propanoic acid (PubChem CID 82328060) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[2-carboxyethyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(propyl)amino]propanoic acid
PubChem CID82328060
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[2-carboxyethyl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-5-10(6-4-8(11)12)7(2)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySAVVRAOQBDEUTH-UHFFFAOYSA-N
XLogP0.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
CID 82329288
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
CID 82328088
2-[di(undecyl)amino]propanoic acid
CID 101313686
(2S)-2-(didecylamino)propanoic acid
CID 54553800
3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329294
(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-(dipropylamino)propanamide
CID 18474126
3-[3-butoxypropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329308
(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
CID 151330879
2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid
CID 82328693
3-[2-carboxyethyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329391

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(propyl)amino]propanoic acid?
The IUPAC name of 2-[2-carboxyethyl(propyl)amino]propanoic acid (CID 82328060) is 2-[2-carboxyethyl(propyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(propyl)amino]propanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(propyl)amino]propanoic acid is CCCN(CCC(=O)O)C(C)C(=O)O.
What is the InChIKey of 2-[2-carboxyethyl(propyl)amino]propanoic acid?
The InChIKey is SAVVRAOQBDEUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-5-10(6-4-8(11)12)7(2)9(13)14/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-carboxyethyl(propyl)amino]propanoic acid?
2-[2-carboxyethyl(propyl)amino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(propyl)amino]propanoic acid is sourced from PubChem (CID 82328060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).