(2S)-2-(didecylamino)propanoic acid

C23H47NO2 — CID 54553800

IUPAC(2S)-2-(didecylamino)propanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)[C@@H](C)C(=O)O
InChIInChI=1S/C23H47NO2/c1-4-6-8-10-12-14-16-18-20-24(22(3)23(25)26)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyZLTBBTBZFUJZCN-QFIPXVFZSA-N
MW369.63 g/mol
LogP7.04
Rot. Bonds20

About (2S)-2-(didecylamino)propanoic acid

(2S)-2-(didecylamino)propanoic acid (PubChem CID 54553800) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is (2S)-2-(didecylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(didecylamino)propanoic acid
PubChem CID54553800
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC Name(2S)-2-(didecylamino)propanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)[C@@H](C)C(=O)O
InChIInChI=1S/C23H47NO2/c1-4-6-8-10-12-14-16-18-20-24(22(3)23(25)26)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyZLTBBTBZFUJZCN-QFIPXVFZSA-N
XLogP7.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[di(undecyl)amino]propanoic acid
CID 101313686
sodium 2-[di(icosyl)amino]propanoate
CID 101313774
calcium bis(2-(didecylamino)propanoate)
CID 101313682
sodium 2-(didecylamino)propanoate
CID 101313681
sodium 2-[di(undecyl)amino]propanoate
CID 101313689
sodium 2-(dioctadecylamino)propanoate
CID 101313754
3-[di(icosyl)amino]butanoic acid
CID 101313989
3-(dioctylamino)butanoic acid
CID 101313450
2-(dihexylamino)-3-hydroxypropanoic acid
CID 175360727
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
4-[di(henicosyl)amino]pentanoic acid
CID 101314309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(didecylamino)propanoic acid?
The IUPAC name of (2S)-2-(didecylamino)propanoic acid (CID 54553800) is (2S)-2-(didecylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(didecylamino)propanoic acid?
The canonical SMILES for (2S)-2-(didecylamino)propanoic acid is CCCCCCCCCCN(CCCCCCCCCC)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(didecylamino)propanoic acid?
The InChIKey is ZLTBBTBZFUJZCN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H47NO2/c1-4-6-8-10-12-14-16-18-20-24(22(3)23(25)26)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3,(H,25,26)/t22-/m0/s1.
What are the key properties of (2S)-2-(didecylamino)propanoic acid?
(2S)-2-(didecylamino)propanoic acid has a molecular weight of 369.63 g/mol, XLogP of 7.04, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(didecylamino)propanoic acid is sourced from PubChem (CID 54553800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).