2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid

C11H13ClN2O3 — CID 61162445

IUPAC2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
SMILESCNCC(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-13-6-10(15)14(7-11(16)17)9-4-2-8(12)3-5-9/h2-5,13H,6-7H2,1H3,(H,16,17)
InChIKeyMLSJKUXNGBIDRZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.98
Rot. Bonds5

About 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid

2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid (PubChem CID 61162445) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
PubChem CID61162445
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
SMILESCNCC(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-13-6-10(15)14(7-11(16)17)9-4-2-8(12)3-5-9/h2-5,13H,6-7H2,1H3,(H,16,17)
InChIKeyMLSJKUXNGBIDRZ-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159949
2-[4-chloro-N-[3-(ethylamino)propanoyl]anilino]acetic acid
CID 55121340
2-(4-chloro-N-octanoylanilino)acetic acid
CID 60826659
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
CID 64611610
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-4-chloroanilino)acetic acid
CID 65269874
2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid
CID 60825782
2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid
CID 115408035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid (CID 61162445) is 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid is CNCC(=O)N(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid?
The InChIKey is MLSJKUXNGBIDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-13-6-10(15)14(7-11(16)17)9-4-2-8(12)3-5-9/h2-5,13H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid?
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid has a molecular weight of 256.69 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid is sourced from PubChem (CID 61162445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).