(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride

C9H14Cl2N2O2 — CID 171338117

IUPAC(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
SMILESCl.Cl.N[C@H](CCC(=O)O)c1ccncc1
InChIInChI=1S/C9H12N2O2.2ClH/c10-8(1-2-9(12)13)7-3-5-11-6-4-7;;/h3-6,8H,1-2,10H2,(H,12,13);2*1H/t8-;;/m1../s1
InChIKeyIUBJMVHZMYESAT-YCBDHFTFSA-N
MW253.13 g/mol
LogP1.79
Rot. Bonds4

About (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride

(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride (PubChem CID 171338117) has the molecular formula C9H14Cl2N2O2 and a molecular weight of 253.13 g/mol. Its IUPAC name is (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
PubChem CID171338117
Molecular FormulaC9H14Cl2N2O2
Molecular Weight253.13 g/mol
Exact Mass252.04
IUPAC Name(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
SMILESCl.Cl.N[C@H](CCC(=O)O)c1ccncc1
InChIInChI=1S/C9H12N2O2.2ClH/c10-8(1-2-9(12)13)7-3-5-11-6-4-7;;/h3-6,8H,1-2,10H2,(H,12,13);2*1H/t8-;;/m1../s1
InChIKeyIUBJMVHZMYESAT-YCBDHFTFSA-N
XLogP1.79
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
4-amino-4-(4-pyrazol-1-ylphenyl)butanoic acid
CID 117365098
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
4-amino-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117370535
4-amino-4-[4-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359457
4-amino-4-(5-amino-3-pyridinyl)butanoic acid
CID 55269479

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride?
The IUPAC name of (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride (CID 171338117) is (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride.
What is the SMILES notation for (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride?
The canonical SMILES for (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride is Cl.Cl.N[C@H](CCC(=O)O)c1ccncc1.
What is the InChIKey of (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride?
The InChIKey is IUBJMVHZMYESAT-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H12N2O2.2ClH/c10-8(1-2-9(12)13)7-3-5-11-6-4-7;;/h3-6,8H,1-2,10H2,(H,12,13);2*1H/t8-;;/m1../s1.
What are the key properties of (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride?
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride is sourced from PubChem (CID 171338117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).