2-(2-acetylanilino)acetic acid;methanamine

C11H16N2O3 — CID 69423543

IUPAC2-(2-acetylanilino)acetic acid;methanamine
SMILESCC(=O)c1ccccc1NCC(=O)O.CN
InChIInChI=1S/C10H11NO3.CH5N/c1-7(12)8-4-2-3-5-9(8)11-6-10(13)14;1-2/h2-5,11H,6H2,1H3,(H,13,14);2H2,1H3
InChIKeyXOHKXICUJPDMRN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-acetylanilino)acetic acid;methanamine

2-(2-acetylanilino)acetic acid;methanamine (PubChem CID 69423543) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-acetylanilino)acetic acid;methanamine.

Molecular Properties

Compound Name2-(2-acetylanilino)acetic acid;methanamine
PubChem CID69423543
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-acetylanilino)acetic acid;methanamine
SMILESCC(=O)c1ccccc1NCC(=O)O.CN
InChIInChI=1S/C10H11NO3.CH5N/c1-7(12)8-4-2-3-5-9(8)11-6-10(13)14;1-2/h2-5,11H,6H2,1H3,(H,13,14);2H2,1H3
InChIKeyXOHKXICUJPDMRN-UHFFFAOYSA-N
XLogP0.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-[2-[(E)-4-oxopent-2-en-2-yl]anilino]acetic acid
CID 70550819
2-[(2-acetylphenyl)carbamoylamino]acetic acid
CID 39733019
1-[2-(2-fluoroethylamino)phenyl]ethanone
CID 84657873
2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid
CID 23345959
2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide
CID 26526540
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid
CID 123894149
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42027103

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylanilino)acetic acid;methanamine?
The IUPAC name of 2-(2-acetylanilino)acetic acid;methanamine (CID 69423543) is 2-(2-acetylanilino)acetic acid;methanamine.
What is the SMILES notation for 2-(2-acetylanilino)acetic acid;methanamine?
The canonical SMILES for 2-(2-acetylanilino)acetic acid;methanamine is CC(=O)c1ccccc1NCC(=O)O.CN.
What is the InChIKey of 2-(2-acetylanilino)acetic acid;methanamine?
The InChIKey is XOHKXICUJPDMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.CH5N/c1-7(12)8-4-2-3-5-9(8)11-6-10(13)14;1-2/h2-5,11H,6H2,1H3,(H,13,14);2H2,1H3.
What are the key properties of 2-(2-acetylanilino)acetic acid;methanamine?
2-(2-acetylanilino)acetic acid;methanamine has a molecular weight of 224.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylanilino)acetic acid;methanamine is sourced from PubChem (CID 69423543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).