2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid

C13H16ClN3O4 — CID 107440209

IUPAC2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1cc(Cl)ccc1NC(=O)CN(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H16ClN3O4/c1-8-4-9(14)2-3-10(8)16-12(19)6-17(5-11(15)18)7-13(20)21/h2-4H,5-7H2,1H3,(H2,15,18)(H,16,19)(H,20,21)
InChIKeySUQSTKNDCGHZDD-UHFFFAOYSA-N
MW313.74 g/mol
LogP0.46
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 107440209) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID107440209
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1cc(Cl)ccc1NC(=O)CN(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H16ClN3O4/c1-8-4-9(14)2-3-10(8)16-12(19)6-17(5-11(15)18)7-13(20)21/h2-4H,5-7H2,1H3,(H2,15,18)(H,16,19)(H,20,21)
InChIKeySUQSTKNDCGHZDD-UHFFFAOYSA-N
XLogP0.46
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid with MolForge

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656682
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid (CID 107440209) is 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid is Cc1cc(Cl)ccc1NC(=O)CN(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is SUQSTKNDCGHZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c1-8-4-9(14)2-3-10(8)16-12(19)6-17(5-11(15)18)7-13(20)21/h2-4H,5-7H2,1H3,(H2,15,18)(H,16,19)(H,20,21).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 313.74 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107440209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).