tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate

C16H24N2O3 — CID 106707645

IUPACtert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
SMILESCCc1cccnc1CNC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-5-12-7-6-10-17-13(12)11-18-14(19)8-9-15(20)21-16(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,19)
InChIKeyHZGYXPFSWOZPLH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.38
Rot. Bonds6

About tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate

tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate (PubChem CID 106707645) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
PubChem CID106707645
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
SMILESCCc1cccnc1CNC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-5-12-7-6-10-17-13(12)11-18-14(19)8-9-15(20)21-16(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,19)
InChIKeyHZGYXPFSWOZPLH-UHFFFAOYSA-N
XLogP2.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
tert-butyl 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-oxobutanoate
CID 106707672
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate
CID 46941453
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82733558
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
CID 90044554
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate (CID 106707645) is tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate is CCc1cccnc1CNC(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate?
The InChIKey is HZGYXPFSWOZPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12-7-6-10-17-13(12)11-18-14(19)8-9-15(20)21-16(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate?
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate has a molecular weight of 292.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate is sourced from PubChem (CID 106707645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).