4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid

C10H13ClN2O2 — CID 104680894

IUPAC4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
SMILESNCCC(Cc1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-7(6-13-9)5-8(3-4-12)10(14)15/h1-2,6,8H,3-5,12H2,(H,14,15)
InChIKeyRJLXDYZQYVPLHO-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.33
Rot. Bonds5

About 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid

4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid (PubChem CID 104680894) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
PubChem CID104680894
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
SMILESNCCC(Cc1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-7(6-13-9)5-8(3-4-12)10(14)15/h1-2,6,8H,3-5,12H2,(H,14,15)
InChIKeyRJLXDYZQYVPLHO-UHFFFAOYSA-N
XLogP1.33
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 83067082
4-(6-chloro-3-pyridinyl)butane-1,3-diamine
CID 18365460
4-amino-2-benzylbutanoic acid
CID 16679765
4-amino-2-[(4-iodophenyl)methyl]butanoic acid
CID 104680959
6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
CID 18365459
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
4-amino-2-[(3-bromo-4-fluorophenyl)methyl]butanoic acid
CID 104680871
2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
CID 170892799
4-amino-2-[(5-chloro-2-fluorophenyl)methyl]butanoic acid
CID 103052246
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid?
The IUPAC name of 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid (CID 104680894) is 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid.
What is the SMILES notation for 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid?
The canonical SMILES for 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid is NCCC(Cc1ccc(Cl)nc1)C(=O)O.
What is the InChIKey of 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid?
The InChIKey is RJLXDYZQYVPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-2-1-7(6-13-9)5-8(3-4-12)10(14)15/h1-2,6,8H,3-5,12H2,(H,14,15).
What are the key properties of 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid?
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid has a molecular weight of 228.68 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid is sourced from PubChem (CID 104680894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).