2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid

C14H14N2O4 — CID 63118087

IUPAC2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
SMILESCc1occc1C(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C14H14N2O4/c1-9-10(6-7-20-9)14(19)16(8-13(17)18)12-5-3-2-4-11(12)15/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyXXHMDGAMSCUOOC-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid

2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid (PubChem CID 63118087) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
PubChem CID63118087
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
SMILESCc1occc1C(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C14H14N2O4/c1-9-10(6-7-20-9)14(19)16(8-13(17)18)12-5-3-2-4-11(12)15/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyXXHMDGAMSCUOOC-UHFFFAOYSA-N
XLogP1.90
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
CID 63118172
2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832013
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
2-(2-amino-N-(3-iodobenzoyl)anilino)acetic acid
CID 63118221
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103017877
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid (CID 63118087) is 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid is Cc1occc1C(=O)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid?
The InChIKey is XXHMDGAMSCUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-10(6-7-20-9)14(19)16(8-13(17)18)12-5-3-2-4-11(12)15/h2-7H,8,15H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid?
2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 63118087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).