2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid

C11H14N2O2 — CID 62696587

IUPAC2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cccnc1)C1CC1
InChIInChI=1S/C11H14N2O2/c14-11(15)10(9-3-4-9)13-7-8-2-1-5-12-6-8/h1-2,5-6,9-10,13H,3-4,7H2,(H,14,15)
InChIKeyCELCZZBGYAFKGK-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.03
Rot. Bonds5

About 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid

2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid (PubChem CID 62696587) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
PubChem CID62696587
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1cccnc1)C1CC1
InChIInChI=1S/C11H14N2O2/c14-11(15)10(9-3-4-9)13-7-8-2-1-5-12-6-8/h1-2,5-6,9-10,13H,3-4,7H2,(H,14,15)
InChIKeyCELCZZBGYAFKGK-UHFFFAOYSA-N
XLogP1.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
(pyridin-3-ylmethylamino)carbamic acid
CID 154450692
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
(2S,3S)-3-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40636476
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
4-(4-methylphenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
CID 4259090

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid (CID 62696587) is 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid is O=C(O)C(NCc1cccnc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid?
The InChIKey is CELCZZBGYAFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)10(9-3-4-9)13-7-8-2-1-5-12-6-8/h1-2,5-6,9-10,13H,3-4,7H2,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid?
2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid has a molecular weight of 206.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid is sourced from PubChem (CID 62696587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).