(3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C11H15N3O4 — CID 22363221

IUPAC(3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCOc1cccnc1OC(=O)NC(=O)CN
InChIInChI=1S/C11H15N3O4/c1-2-6-17-8-4-3-5-13-10(8)18-11(16)14-9(15)7-12/h3-5H,2,6-7,12H2,1H3,(H,14,15,16)
InChIKeyUTQQWYVQIPUZSF-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.44
Rot. Bonds5

About (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 22363221) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID22363221
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCOc1cccnc1OC(=O)NC(=O)CN
InChIInChI=1S/C11H15N3O4/c1-2-6-17-8-4-3-5-13-10(8)18-11(16)14-9(15)7-12/h3-5H,2,6-7,12H2,1H3,(H,14,15,16)
InChIKeyUTQQWYVQIPUZSF-UHFFFAOYSA-N
XLogP0.44
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 22363221) is (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is CCCOc1cccnc1OC(=O)NC(=O)CN.
What is the InChIKey of (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is UTQQWYVQIPUZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-6-17-8-4-3-5-13-10(8)18-11(16)14-9(15)7-12/h3-5H,2,6-7,12H2,1H3,(H,14,15,16).
What are the key properties of (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 253.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).