(2-ethoxy-3-pyridinyl)methyl carbamate

C9H12N2O3 — CID 175042613

IUPAC(2-ethoxy-3-pyridinyl)methyl carbamate
SMILESCCOc1ncccc1COC(N)=O
InChIInChI=1S/C9H12N2O3/c1-2-13-8-7(4-3-5-11-8)6-14-9(10)12/h3-5H,2,6H2,1H3,(H2,10,12)
InChIKeyLPOPKESAMDOPCX-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.08
Rot. Bonds4

About (2-ethoxy-3-pyridinyl)methyl carbamate

(2-ethoxy-3-pyridinyl)methyl carbamate (PubChem CID 175042613) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)methyl carbamate
PubChem CID175042613
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2-ethoxy-3-pyridinyl)methyl carbamate
SMILESCCOc1ncccc1COC(N)=O
InChIInChI=1S/C9H12N2O3/c1-2-13-8-7(4-3-5-11-8)6-14-9(10)12/h3-5H,2,6H2,1H3,(H2,10,12)
InChIKeyLPOPKESAMDOPCX-UHFFFAOYSA-N
XLogP1.08
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
3-(2-ethoxy-3-pyridinyl)-2-methylpropanoic acid
CID 83884320
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 111050722
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
benzyl 2-ethoxypyridine-3-carboxylate
CID 2369615
tert-butyl 4-[N'-[(2-ethoxy-3-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111050757
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111050721

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)methyl carbamate?
The IUPAC name of (2-ethoxy-3-pyridinyl)methyl carbamate (CID 175042613) is (2-ethoxy-3-pyridinyl)methyl carbamate.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)methyl carbamate?
The canonical SMILES for (2-ethoxy-3-pyridinyl)methyl carbamate is CCOc1ncccc1COC(N)=O.
What is the InChIKey of (2-ethoxy-3-pyridinyl)methyl carbamate?
The InChIKey is LPOPKESAMDOPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-13-8-7(4-3-5-11-8)6-14-9(10)12/h3-5H,2,6H2,1H3,(H2,10,12).
What are the key properties of (2-ethoxy-3-pyridinyl)methyl carbamate?
(2-ethoxy-3-pyridinyl)methyl carbamate has a molecular weight of 196.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)methyl carbamate is sourced from PubChem (CID 175042613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).