2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid

C10H11ClN2O3 — CID 60834959

IUPAC2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
SMILESNC(=O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-1-3-8(4-2-7)13(5-9(12)14)6-10(15)16/h1-4H,5-6H2,(H2,12,14)(H,15,16)
InChIKeyAAZHYFOPYRAUCH-UHFFFAOYSA-N
MW242.66 g/mol
LogP0.72
Rot. Bonds5

About 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid

2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid (PubChem CID 60834959) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
PubChem CID60834959
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
SMILESNC(=O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-1-3-8(4-2-7)13(5-9(12)14)6-10(15)16/h1-4H,5-6H2,(H2,12,14)(H,15,16)
InChIKeyAAZHYFOPYRAUCH-UHFFFAOYSA-N
XLogP0.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid
CID 54925633
2-[4-chloro-N-(2-methylidenebutyl)anilino]acetic acid
CID 66045975
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
CID 60834961
2-(4-chloro-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60832897
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-[4-chloro-N-(3-methylbut-3-enyl)anilino]acetic acid
CID 114473132
2-[N-(2-amino-2-oxoethyl)-4-(hydroxymethyl)anilino]acetamide
CID 62923495
2-[4-chloro-N-[(4-chlorothiophen-2-yl)methyl]anilino]acetic acid
CID 79428121
2-(4-chloro-N-[3-(methylamino)-3-oxopropyl]anilino)acetic acid
CID 62324660
2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid
CID 65058054
2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60892663

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid?
The IUPAC name of 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid (CID 60834959) is 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid is NC(=O)CN(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid?
The InChIKey is AAZHYFOPYRAUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-7-1-3-8(4-2-7)13(5-9(12)14)6-10(15)16/h1-4H,5-6H2,(H2,12,14)(H,15,16).
What are the key properties of 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid?
2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid has a molecular weight of 242.66 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid is sourced from PubChem (CID 60834959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).