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

C8H10ClN3O2 — CID 130865698

IUPAC(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ncc(Cl)cc1N
InChIInChI=1S/C8H10ClN3O2/c1-8(11,7(13)14)6-5(10)2-4(9)3-12-6/h2-3H,10-11H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyZWEMITWOMZELLB-MRVPVSSYSA-N
MW215.64 g/mol
LogP0.58
Rot. Bonds2

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

(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid (PubChem CID 130865698) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid
PubChem CID130865698
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ncc(Cl)cc1N
InChIInChI=1S/C8H10ClN3O2/c1-8(11,7(13)14)6-5(10)2-4(9)3-12-6/h2-3H,10-11H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyZWEMITWOMZELLB-MRVPVSSYSA-N
XLogP0.58
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid (CID 130865698) is (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid is C[C@](N)(C(=O)O)c1ncc(Cl)cc1N.
What is the InChIKey of (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid?
The InChIKey is ZWEMITWOMZELLB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-8(11,7(13)14)6-5(10)2-4(9)3-12-6/h2-3H,10-11H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid?
(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid has a molecular weight of 215.64 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid is sourced from PubChem (CID 130865698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).