tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate

C15H22N2O3 — CID 46941453

IUPACtert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate
SMILESCCC(=O)Nc1cccnc1CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-5-13(18)17-12-7-6-10-16-11(12)8-9-14(19)20-15(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyNMUMAKLHHLRZNV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.70
Rot. Bonds5

About tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate

tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate (PubChem CID 46941453) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate
PubChem CID46941453
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate
SMILESCCC(=O)Nc1cccnc1CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-5-13(18)17-12-7-6-10-16-11(12)8-9-14(19)20-15(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyNMUMAKLHHLRZNV-UHFFFAOYSA-N
XLogP2.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
CID 90044554
tert-butyl 3-(pyrimidin-2-ylamino)propanoate
CID 141113338
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[[5-oxo-5-[[6-(propanoylamino)-2-pyridinyl]amino]pentanoyl]amino]heptanedioate
CID 101128890

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate?
The IUPAC name of tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate (CID 46941453) is tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate.
What is the SMILES notation for tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate?
The canonical SMILES for tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate is CCC(=O)Nc1cccnc1CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate?
The InChIKey is NMUMAKLHHLRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-13(18)17-12-7-6-10-16-11(12)8-9-14(19)20-15(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate?
tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate is sourced from PubChem (CID 46941453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).