(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid

C10H8Cl2N2O3 — CID 70513213

IUPAC(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid
SMILESC[C@@H](Nc1nc2cc(Cl)c(Cl)cc2o1)C(=O)O
InChIInChI=1S/C10H8Cl2N2O3/c1-4(9(15)16)13-10-14-7-2-5(11)6(12)3-8(7)17-10/h2-4H,1H3,(H,13,14)(H,15,16)/t4-/m1/s1
InChIKeyDAMUIIJVDIHVAB-SCSAIBSYSA-N
MW275.09 g/mol
LogP3.02
Rot. Bonds3

About (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid

(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid (PubChem CID 70513213) has the molecular formula C10H8Cl2N2O3 and a molecular weight of 275.09 g/mol. Its IUPAC name is (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid
PubChem CID70513213
Molecular FormulaC10H8Cl2N2O3
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC Name(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid
SMILESC[C@@H](Nc1nc2cc(Cl)c(Cl)cc2o1)C(=O)O
InChIInChI=1S/C10H8Cl2N2O3/c1-4(9(15)16)13-10-14-7-2-5(11)6(12)3-8(7)17-10/h2-4H,1H3,(H,13,14)(H,15,16)/t4-/m1/s1
InChIKeyDAMUIIJVDIHVAB-SCSAIBSYSA-N
XLogP3.02
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid (CID 70513213) is (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid is C[C@@H](Nc1nc2cc(Cl)c(Cl)cc2o1)C(=O)O.
What is the InChIKey of (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid?
The InChIKey is DAMUIIJVDIHVAB-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3/c1-4(9(15)16)13-10-14-7-2-5(11)6(12)3-8(7)17-10/h2-4H,1H3,(H,13,14)(H,15,16)/t4-/m1/s1.
What are the key properties of (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid?
(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid has a molecular weight of 275.09 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 70513213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).