2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid

C14H20N2O2 — CID 114996489

IUPAC2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid
SMILESCN(CC1CCC1)C(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18,12-6-8-15-9-7-12)16(2)10-11-4-3-5-11/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyUYSYVLIPWZWLHS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.11
Rot. Bonds5

About 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid

2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid (PubChem CID 114996489) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid
PubChem CID114996489
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid
SMILESCN(CC1CCC1)C(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18,12-6-8-15-9-7-12)16(2)10-11-4-3-5-11/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyUYSYVLIPWZWLHS-UHFFFAOYSA-N
XLogP2.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyridineacetic acid hydrochloride
CID 81097
Ethyl pyridine-4-acetate
CID 736321
4-Pyridineacetic acid
CID 34228
Methyl 4-pyridylacetate
CID 122482
alpha-Methyl-3-pyridineacetic acid
CID 10511017
2-(Pyridin-3-yl)butanoic acid
CID 17909908
Pyridin-4-yl-acetic acid 1,3-dimethyl-butyl ester
CID 44334394
2-Amino-2-methyl-3-(pyridin-4-yl)propanoic acid
CID 12487474
Methyl 2-(pyridin-4-yl)propanoate
CID 13122749
2-(Dimethylamino)-2-(pyridin-3-yl)acetic acid
CID 22713930
(3S)-3-(pyridin-3-yl)butanoic acid
CID 28791591
2-(4-Methylpyridin-3-yl)acetic acid
CID 33728535

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid (CID 114996489) is 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid is CN(CC1CCC1)C(C)(C(=O)O)c1ccncc1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid?
The InChIKey is UYSYVLIPWZWLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(13(17)18,12-6-8-15-9-7-12)16(2)10-11-4-3-5-11/h6-9,11H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid?
2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 114996489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).