3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid

C14H27NO4 — CID 171658898

IUPAC3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid
SMILESCC(C)(C)C(C)(C)CN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C14H27NO4/c1-13(2,3)14(4,5)10-15(8-6-11(16)17)9-7-12(18)19/h6-10H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyUNLPQYYLARXVAK-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.31
Rot. Bonds8

About 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid

3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid (PubChem CID 171658898) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid
PubChem CID171658898
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid
SMILESCC(C)(C)C(C)(C)CN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C14H27NO4/c1-13(2,3)14(4,5)10-15(8-6-11(16)17)9-7-12(18)19/h6-10H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyUNLPQYYLARXVAK-UHFFFAOYSA-N
XLogP2.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
CID 58066359
3-[amino(methyl)amino]propanoic acid;ethane
CID 144503936
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
5-[2-[bis(2-methyl-2-sulfanylpropyl)amino]ethylamino]pentanoic acid
CID 54327344
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[2-[2-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid;trihydrate
CID 21478019
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211

Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid?
The IUPAC name of 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid (CID 171658898) is 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid?
The canonical SMILES for 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid is CC(C)(C)C(C)(C)CN(CCC(=O)O)CCC(=O)O.
What is the InChIKey of 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid?
The InChIKey is UNLPQYYLARXVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-13(2,3)14(4,5)10-15(8-6-11(16)17)9-7-12(18)19/h6-10H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid?
3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid has a molecular weight of 273.37 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid is sourced from PubChem (CID 171658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).