(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C15H15N3O5 — CID 22363670

IUPAC(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1nccc(OCc2ccccc2)c1O
InChIInChI=1S/C15H15N3O5/c16-8-12(19)18-15(21)23-14-13(20)11(6-7-17-14)22-9-10-4-2-1-3-5-10/h1-7,20H,8-9,16H2,(H,18,19,21)
InChIKeyNLTZYTOHIBIJCE-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.94
Rot. Bonds5

About (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 22363670) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID22363670
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1nccc(OCc2ccccc2)c1O
InChIInChI=1S/C15H15N3O5/c16-8-12(19)18-15(21)23-14-13(20)11(6-7-17-14)22-9-10-4-2-1-3-5-10/h1-7,20H,8-9,16H2,(H,18,19,21)
InChIKeyNLTZYTOHIBIJCE-UHFFFAOYSA-N
XLogP0.94
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 22363670) is (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is NCC(=O)NC(=O)Oc1nccc(OCc2ccccc2)c1O.
What is the InChIKey of (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is NLTZYTOHIBIJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c16-8-12(19)18-15(21)23-14-13(20)11(6-7-17-14)22-9-10-4-2-1-3-5-10/h1-7,20H,8-9,16H2,(H,18,19,21).
What are the key properties of (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 317.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).