2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid

C11H14N2O2 — CID 145020481

IUPAC2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid
SMILES[H]/N=C(\C(=O)O)c1ccccc1NC(C)C
InChIInChI=1S/C11H14N2O2/c1-7(2)13-9-6-4-3-5-8(9)10(12)11(14)15/h3-7,12-13H,1-2H3,(H,14,15)/b12-10-
InChIKeyXRCPLSWRNQMSPO-BENRWUELSA-N
MW206.25 g/mol
LogP1.96
Rot. Bonds4

About 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid

2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid (PubChem CID 145020481) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid
PubChem CID145020481
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid
SMILES[H]/N=C(\C(=O)O)c1ccccc1NC(C)C
InChIInChI=1S/C11H14N2O2/c1-7(2)13-9-6-4-3-5-8(9)10(12)11(14)15/h3-7,12-13H,1-2H3,(H,14,15)/b12-10-
InChIKeyXRCPLSWRNQMSPO-BENRWUELSA-N
XLogP1.96
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
CID 143179363
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
2-(3-hydroxybutan-2-ylamino)benzoic acid
CID 131071288
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
2-[2-[2-(methylamino)-2-oxoethanimidoyl]anilino]acetic acid
CID 123894149
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid?
The IUPAC name of 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid (CID 145020481) is 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid.
What is the SMILES notation for 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid?
The canonical SMILES for 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid is [H]/N=C(\C(=O)O)c1ccccc1NC(C)C.
What is the InChIKey of 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid?
The InChIKey is XRCPLSWRNQMSPO-BENRWUELSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)13-9-6-4-3-5-8(9)10(12)11(14)15/h3-7,12-13H,1-2H3,(H,14,15)/b12-10-.
What are the key properties of 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid?
2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid has a molecular weight of 206.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid is sourced from PubChem (CID 145020481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).