(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid

C8H10ClN3O2 — CID 131038076

IUPAC(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid
SMILESNc1nc(Cl)ccc1[C@H](N)CC(=O)O
InChIInChI=1S/C8H10ClN3O2/c9-6-2-1-4(8(11)12-6)5(10)3-7(13)14/h1-2,5H,3,10H2,(H2,11,12)(H,13,14)/t5-/m1/s1
InChIKeyAXCRBUFYVHPNNH-RXMQYKEDSA-N
MW215.64 g/mol
LogP0.79
Rot. Bonds3

About (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid

(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid (PubChem CID 131038076) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid
PubChem CID131038076
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid
SMILESNc1nc(Cl)ccc1[C@H](N)CC(=O)O
InChIInChI=1S/C8H10ClN3O2/c9-6-2-1-4(8(11)12-6)5(10)3-7(13)14/h1-2,5H,3,10H2,(H2,11,12)(H,13,14)/t5-/m1/s1
InChIKeyAXCRBUFYVHPNNH-RXMQYKEDSA-N
XLogP0.79
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
CID 130627537
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
3-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791799
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
(3S)-3-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130664329
ethyl (3S)-3-amino-3-(2,6-dichloro-3-pyridinyl)propanoate
CID 171223154
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid
CID 130667167
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
CID 130725471
(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid
CID 130625917
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid (CID 131038076) is (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid is Nc1nc(Cl)ccc1[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid?
The InChIKey is AXCRBUFYVHPNNH-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-2-1-4(8(11)12-6)5(10)3-7(13)14/h1-2,5H,3,10H2,(H2,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid?
(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid has a molecular weight of 215.64 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 131038076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).