methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate

C11H14N2O2 — CID 60795276

IUPACmethyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NC1CC1)c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10(13-9-4-5-9)8-3-2-6-12-7-8/h2-3,6-7,9-10,13H,4-5H2,1H3
InChIKeyNHEXJZCSXBCPOJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate

methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate (PubChem CID 60795276) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
PubChem CID60795276
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NC1CC1)c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10(13-9-4-5-9)8-3-2-6-12-7-8/h2-3,6-7,9-10,13H,4-5H2,1H3
InChIKeyNHEXJZCSXBCPOJ-UHFFFAOYSA-N
XLogP1.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate (CID 60795276) is methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate is COC(=O)C(NC1CC1)c1cccnc1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate?
The InChIKey is NHEXJZCSXBCPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10(13-9-4-5-9)8-3-2-6-12-7-8/h2-3,6-7,9-10,13H,4-5H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate?
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate has a molecular weight of 206.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate is sourced from PubChem (CID 60795276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).