(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid

C8H10ClN3O2 — CID 130667167

IUPAC(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid
SMILESNc1cnc(Cl)c([C@@H](N)CC(=O)O)c1
InChIInChI=1S/C8H10ClN3O2/c9-8-5(1-4(10)3-12-8)6(11)2-7(13)14/h1,3,6H,2,10-11H2,(H,13,14)/t6-/m0/s1
InChIKeyIJBCRKOXXWRPDP-LURJTMIESA-N
MW215.64 g/mol
LogP0.79
Rot. Bonds3

About (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid

(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid (PubChem CID 130667167) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid
PubChem CID130667167
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid
SMILESNc1cnc(Cl)c([C@@H](N)CC(=O)O)c1
InChIInChI=1S/C8H10ClN3O2/c9-8-5(1-4(10)3-12-8)6(11)2-7(13)14/h1,3,6H,2,10-11H2,(H,13,14)/t6-/m0/s1
InChIKeyIJBCRKOXXWRPDP-LURJTMIESA-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

(3S)-3-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130664329
(3R)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanenitrile
CID 55273941
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
5-[(1R)-1-aminoethyl]-6-chloropyridin-3-amine
CID 55273606
3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
CID 84669672
(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
CID 130627537
(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid
CID 131038076
6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide
CID 130693411
4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877478
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124440
(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid
CID 130625917

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid (CID 130667167) is (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid is Nc1cnc(Cl)c([C@@H](N)CC(=O)O)c1.
What is the InChIKey of (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid?
The InChIKey is IJBCRKOXXWRPDP-LURJTMIESA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-8-5(1-4(10)3-12-8)6(11)2-7(13)14/h1,3,6H,2,10-11H2,(H,13,14)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid?
(3S)-3-amino-3-(5-amino-2-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 (3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 130667167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).