2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid

C12H14N2O4 — CID 114937473

IUPAC2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C=O)C2CC2)cn1
InChIInChI=1S/C12H14N2O4/c1-18-10-5-2-8(6-13-10)11(12(16)17)14(7-15)9-3-4-9/h2,5-7,9,11H,3-4H2,1H3,(H,16,17)
InChIKeyPUGUPGRYOGVJQL-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.84
Rot. Bonds6

About 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid

2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 114937473) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID114937473
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C=O)C2CC2)cn1
InChIInChI=1S/C12H14N2O4/c1-18-10-5-2-8(6-13-10)11(12(16)17)14(7-15)9-3-4-9/h2,5-7,9,11H,3-4H2,1H3,(H,16,17)
InChIKeyPUGUPGRYOGVJQL-UHFFFAOYSA-N
XLogP0.84
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 114937473) is 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is COc1ccc(C(C(=O)O)N(C=O)C2CC2)cn1.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is PUGUPGRYOGVJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-10-5-2-8(6-13-10)11(12(16)17)14(7-15)9-3-4-9/h2,5-7,9,11H,3-4H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 114937473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).