2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid

C11H13N3O3 — CID 123894149

IUPAC2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid
SMILES[H]/N=C(\C(=O)NC)c1ccccc1NCC(=O)O
InChIInChI=1S/C11H13N3O3/c1-13-11(17)10(12)7-4-2-3-5-8(7)14-6-9(15)16/h2-5,12,14H,6H2,1H3,(H,13,17)(H,15,16)/b12-10-
InChIKeyGHHRPTVLGLUADN-BENRWUELSA-N
MW235.24 g/mol
LogP0.30
Rot. Bonds5

About 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid

2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid (PubChem CID 123894149) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid
PubChem CID123894149
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid
SMILES[H]/N=C(\C(=O)NC)c1ccccc1NCC(=O)O
InChIInChI=1S/C11H13N3O3/c1-13-11(17)10(12)7-4-2-3-5-8(7)14-6-9(15)16/h2-5,12,14H,6H2,1H3,(H,13,17)(H,15,16)/b12-10-
InChIKeyGHHRPTVLGLUADN-BENRWUELSA-N
XLogP0.30
TPSA102.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetylanilino)acetic acid;methanamine
CID 69423543
2-[2-[(E)-4-oxopent-2-en-2-yl]anilino]acetic acid
CID 70550819
2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid
CID 129229320
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
CID 143179363
2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid
CID 145020481
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
(1R,3S,5R)-2-[2-[2-(2-amino-2-oxoethanimidoyl)anilino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 130257147
2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid
CID 23345959
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
2-[2-(2-oxopropanimidoyl)-4-(1-pyrimidin-2-ylethoxy)anilino]acetic acid
CID 90067147
2-(carboxymethylamino)benzoic acid;3-(carboxymethylamino)benzoic acid
CID 70207742

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid?
The IUPAC name of 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid (CID 123894149) is 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid?
The canonical SMILES for 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid is [H]/N=C(\C(=O)NC)c1ccccc1NCC(=O)O.
What is the InChIKey of 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid?
The InChIKey is GHHRPTVLGLUADN-BENRWUELSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-13-11(17)10(12)7-4-2-3-5-8(7)14-6-9(15)16/h2-5,12,14H,6H2,1H3,(H,13,17)(H,15,16)/b12-10-.
What are the key properties of 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid?
2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid is sourced from PubChem (CID 123894149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).