pyridin-2-ylmethyl 2-aminopropanoate

C9H12N2O2 — CID 83529934

IUPACpyridin-2-ylmethyl 2-aminopropanoate
SMILESCC(N)C(=O)OCc1ccccn1
InChIInChI=1S/C9H12N2O2/c1-7(10)9(12)13-6-8-4-2-3-5-11-8/h2-5,7H,6,10H2,1H3
InChIKeyOOWCPYQUDRRVEX-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.47
Rot. Bonds3

About pyridin-2-ylmethyl 2-aminopropanoate

pyridin-2-ylmethyl 2-aminopropanoate (PubChem CID 83529934) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-aminopropanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-aminopropanoate
PubChem CID83529934
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namepyridin-2-ylmethyl 2-aminopropanoate
SMILESCC(N)C(=O)OCc1ccccn1
InChIInChI=1S/C9H12N2O2/c1-7(10)9(12)13-6-8-4-2-3-5-11-8/h2-5,7H,6,10H2,1H3
InChIKeyOOWCPYQUDRRVEX-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
CID 91115950
pyridin-2-ylmethyl 3-trimethylsilylpropanoate
CID 11962004
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
benzyl (2S)-2-aminopropanoate
CID 726858
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
pyridin-2-ylmethyl 3,3-dimethyl-2-methylidenebutanoate
CID 11458652
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
pyridin-2-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55941598

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-aminopropanoate?
The IUPAC name of pyridin-2-ylmethyl 2-aminopropanoate (CID 83529934) is pyridin-2-ylmethyl 2-aminopropanoate.
What is the SMILES notation for pyridin-2-ylmethyl 2-aminopropanoate?
The canonical SMILES for pyridin-2-ylmethyl 2-aminopropanoate is CC(N)C(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2-aminopropanoate?
The InChIKey is OOWCPYQUDRRVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(10)9(12)13-6-8-4-2-3-5-11-8/h2-5,7H,6,10H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-aminopropanoate?
pyridin-2-ylmethyl 2-aminopropanoate has a molecular weight of 180.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-aminopropanoate is sourced from PubChem (CID 83529934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).