(3R)-3-amino-4-(didecylamino)butanoic acid

C24H50N2O2 — CID 151062145

IUPAC(3R)-3-amino-4-(didecylamino)butanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C[C@H](N)CC(=O)O
InChIInChI=1S/C24H50N2O2/c1-3-5-7-9-11-13-15-17-19-26(22-23(25)21-24(27)28)20-18-16-14-12-10-8-6-4-2/h23H,3-22,25H2,1-2H3,(H,27,28)/t23-/m1/s1
InChIKeyMGJWLOJFEKWFOQ-HSZRJFAPSA-N
MW398.68 g/mol
LogP6.37
Rot. Bonds22

About (3R)-3-amino-4-(didecylamino)butanoic acid

(3R)-3-amino-4-(didecylamino)butanoic acid (PubChem CID 151062145) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is (3R)-3-amino-4-(didecylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-(didecylamino)butanoic acid
PubChem CID151062145
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC Name(3R)-3-amino-4-(didecylamino)butanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C[C@H](N)CC(=O)O
InChIInChI=1S/C24H50N2O2/c1-3-5-7-9-11-13-15-17-19-26(22-23(25)21-24(27)28)20-18-16-14-12-10-8-6-4-2/h23H,3-22,25H2,1-2H3,(H,27,28)/t23-/m1/s1
InChIKeyMGJWLOJFEKWFOQ-HSZRJFAPSA-N
XLogP6.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-aminononanoic acid
CID 2832746
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[di(pentadecyl)amino]acetic acid
CID 101313622
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
3-[di(icosyl)amino]butanoic acid
CID 101313989
3-(dioctylamino)butanoic acid
CID 101313450
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(didecylamino)butanoic acid?
The IUPAC name of (3R)-3-amino-4-(didecylamino)butanoic acid (CID 151062145) is (3R)-3-amino-4-(didecylamino)butanoic acid.
What is the SMILES notation for (3R)-3-amino-4-(didecylamino)butanoic acid?
The canonical SMILES for (3R)-3-amino-4-(didecylamino)butanoic acid is CCCCCCCCCCN(CCCCCCCCCC)C[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-4-(didecylamino)butanoic acid?
The InChIKey is MGJWLOJFEKWFOQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H50N2O2/c1-3-5-7-9-11-13-15-17-19-26(22-23(25)21-24(27)28)20-18-16-14-12-10-8-6-4-2/h23H,3-22,25H2,1-2H3,(H,27,28)/t23-/m1/s1.
What are the key properties of (3R)-3-amino-4-(didecylamino)butanoic acid?
(3R)-3-amino-4-(didecylamino)butanoic acid has a molecular weight of 398.68 g/mol, XLogP of 6.37, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(didecylamino)butanoic acid is sourced from PubChem (CID 151062145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).