O-Desmethyl-m-hydroxy-lacosamide

Name: O-Desmethyl-m-hydroxy-lacosamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₆N₂O₄ — CID 156613579

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2R)-2-acetamido-3-hydroxy-N-[(3-hydroxyphenyl)methyl]propanamide

SMILESCC(=O)N[C@H](CO)C(=O)NCc1cccc(O)c1

InChIInChI=1S/C12H16N2O4/c1-8(16)14-11(7-15)12(18)13-6-9-3-2-4-10(17)5-9/h2-5,11,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t11-/m1/s1

InChIKeyCECHCSLDPHXTNM-LLVKDONJSA-N

MW252.27 g/mol

LogP-0.49

Rot. Bonds5

About O-Desmethyl-m-hydroxy-lacosamide

O-Desmethyl-m-hydroxy-lacosamide (PubChem CID 156613579) has the molecular formula C₁₂H₁₆N₂O₄ and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-acetamido-3-hydroxy-N-[(3-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name	O-Desmethyl-m-hydroxy-lacosamide
PubChem CID	156613579
Molecular Formula	C₁₂H₁₆N₂O₄
Molecular Weight	252.27 g/mol
Exact Mass	252.11
IUPAC Name	(2R)-2-acetamido-3-hydroxy-N-[(3-hydroxyphenyl)methyl]propanamide
SMILES	CC(=O)N[C@H](CO)C(=O)NCc1cccc(O)c1
InChI	InChI=1S/C12H16N2O4/c1-8(16)14-11(7-15)12(18)13-6-9-3-2-4-10(17)5-9/h2-5,11,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t11-/m1/s1
InChIKey	CECHCSLDPHXTNM-LLVKDONJSA-N
XLogP	-0.49
TPSA	98.66 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.27
LogP ≤ 5	-0.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of O-Desmethyl-m-hydroxy-lacosamide?

The IUPAC name of O-Desmethyl-m-hydroxy-lacosamide (CID 156613579) is (2R)-2-acetamido-3-hydroxy-N-[(3-hydroxyphenyl)methyl]propanamide.

What is the SMILES notation for O-Desmethyl-m-hydroxy-lacosamide?

The canonical SMILES for O-Desmethyl-m-hydroxy-lacosamide is CC(=O)N[C@H](CO)C(=O)NCc1cccc(O)c1.

What is the InChIKey of O-Desmethyl-m-hydroxy-lacosamide?

The InChIKey is CECHCSLDPHXTNM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(16)14-11(7-15)12(18)13-6-9-3-2-4-10(17)5-9/h2-5,11,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t11-/m1/s1.

What are the key properties of O-Desmethyl-m-hydroxy-lacosamide?

O-Desmethyl-m-hydroxy-lacosamide has a molecular weight of 252.27 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for O-Desmethyl-m-hydroxy-lacosamide is sourced from PubChem (CID 156613579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156613579 — identifiers, structure, computed properties (public domain)

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