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

C13H17N3O4 — CID 62994376

IUPAC2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCOc1ccc(CNC(=O)N(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C13H17N3O4/c1-20-11-5-2-9(6-14-11)7-15-13(19)16(8-12(17)18)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyDHENJUHYGYOINE-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.85
Rot. Bonds6

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

2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid (PubChem CID 62994376) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
PubChem CID62994376
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCOc1ccc(CNC(=O)N(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C13H17N3O4/c1-20-11-5-2-9(6-14-11)7-15-13(19)16(8-12(17)18)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyDHENJUHYGYOINE-UHFFFAOYSA-N
XLogP0.85
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid (CID 62994376) is 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid is COc1ccc(CNC(=O)N(CC(=O)O)C2CC2)cn1.
What is the InChIKey of 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is DHENJUHYGYOINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-11-5-2-9(6-14-11)7-15-13(19)16(8-12(17)18)10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 62994376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).