(2-amino-4-pyridinyl)methyl propanoate

C9H12N2O2 — CID 166101515

IUPAC(2-amino-4-pyridinyl)methyl propanoate
SMILESCCC(=O)OCc1ccnc(N)c1
InChIInChI=1S/C9H12N2O2/c1-2-9(12)13-6-7-3-4-11-8(10)5-7/h3-5H,2,6H2,1H3,(H2,10,11)
InChIKeyLPNDLMCFMWTACE-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.12
Rot. Bonds3

About (2-amino-4-pyridinyl)methyl propanoate

(2-amino-4-pyridinyl)methyl propanoate (PubChem CID 166101515) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)methyl propanoate.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)methyl propanoate
PubChem CID166101515
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2-amino-4-pyridinyl)methyl propanoate
SMILESCCC(=O)OCc1ccnc(N)c1
InChIInChI=1S/C9H12N2O2/c1-2-9(12)13-6-7-3-4-11-8(10)5-7/h3-5H,2,6H2,1H3,(H2,10,11)
InChIKeyLPNDLMCFMWTACE-UHFFFAOYSA-N
XLogP1.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-pyridinyl)methyl formate
CID 174909725
2-[(2-amino-4-pyridinyl)methoxy]benzamide
CID 62463915
ethane;4-ethylpyridin-2-amine
CID 144736585
4-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
CID 62465833
4-(2-propoxyethoxymethyl)pyridin-2-amine
CID 63684235
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824
4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
CID 62465468
4-(heptoxymethyl)pyridin-2-amine
CID 62465689
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
benzyl propanoate;hydrochloride
CID 140986165
(3-phenylphenyl)methyl propanoate
CID 67574989
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)methyl propanoate?
The IUPAC name of (2-amino-4-pyridinyl)methyl propanoate (CID 166101515) is (2-amino-4-pyridinyl)methyl propanoate.
What is the SMILES notation for (2-amino-4-pyridinyl)methyl propanoate?
The canonical SMILES for (2-amino-4-pyridinyl)methyl propanoate is CCC(=O)OCc1ccnc(N)c1.
What is the InChIKey of (2-amino-4-pyridinyl)methyl propanoate?
The InChIKey is LPNDLMCFMWTACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-9(12)13-6-7-3-4-11-8(10)5-7/h3-5H,2,6H2,1H3,(H2,10,11).
What are the key properties of (2-amino-4-pyridinyl)methyl propanoate?
(2-amino-4-pyridinyl)methyl propanoate has a molecular weight of 180.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)methyl propanoate is sourced from PubChem (CID 166101515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).