2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid

C9H7Cl2NO3 — CID 169438234

IUPAC2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid
SMILESO=C([15NH][13CH2][13C](=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)/i4+1,8+1,12+1
InChIKeyHKUAUZSWGMQPOK-MIYJAAJVSA-N
MW251.04 g/mol
LogP1.81
Rot. Bonds3

About 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid

2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid (PubChem CID 169438234) has the molecular formula C9H7Cl2NO3 and a molecular weight of 251.04 g/mol. Its IUPAC name is 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid
PubChem CID169438234
Molecular FormulaC9H7Cl2NO3
Molecular Weight251.04 g/mol
Exact Mass249.98
IUPAC Name2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid
SMILESO=C([15NH][13CH2][13C](=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)/i4+1,8+1,12+1
InChIKeyHKUAUZSWGMQPOK-MIYJAAJVSA-N
XLogP1.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid?
The IUPAC name of 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid (CID 169438234) is 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid is O=C([15NH][13CH2][13C](=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid?
The InChIKey is HKUAUZSWGMQPOK-MIYJAAJVSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)/i4+1,8+1,12+1.
What are the key properties of 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid?
2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid has a molecular weight of 251.04 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorobenzoyl)(15N)amino]acetic acid is sourced from PubChem (CID 169438234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).