tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate

C24H32N2O5 — CID 66696847

IUPACtert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate
SMILESCCCN(C(=O)OCc1ccccc1)c1cccn(C(CC)C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C24H32N2O5/c1-6-15-26(23(29)30-17-18-12-9-8-10-13-18)20-14-11-16-25(21(20)27)19(7-2)22(28)31-24(3,4)5/h8-14,16,19H,6-7,15,17H2,1-5H3
InChIKeyGYFJGLDZURBABD-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.69
Rot. Bonds8

About tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate

tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate (PubChem CID 66696847) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate.

Molecular Properties

Compound Nametert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate
PubChem CID66696847
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Nametert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate
SMILESCCCN(C(=O)OCc1ccccc1)c1cccn(C(CC)C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C24H32N2O5/c1-6-15-26(23(29)30-17-18-12-9-8-10-13-18)20-14-11-16-25(21(20)27)19(7-2)22(28)31-24(3,4)5/h8-14,16,19H,6-7,15,17H2,1-5H3
InChIKeyGYFJGLDZURBABD-UHFFFAOYSA-N
XLogP4.69
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674957
tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674951
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
CID 67291803
benzyl N-ethyl-N-propylcarbamate
CID 126656974
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
4-O-benzyl 1-O-tert-butyl 3-methyl-2-pentylbutanedioate
CID 175438683
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]butanoate
CID 59322115
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
CID 134963822
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
tert-butyl carbamate;propylbenzene
CID 146635957
benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
CID 138644331

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate?
The IUPAC name of tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate (CID 66696847) is tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate.
What is the SMILES notation for tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate?
The canonical SMILES for tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate is CCCN(C(=O)OCc1ccccc1)c1cccn(C(CC)C(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate?
The InChIKey is GYFJGLDZURBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-6-15-26(23(29)30-17-18-12-9-8-10-13-18)20-14-11-16-25(21(20)27)19(7-2)22(28)31-24(3,4)5/h8-14,16,19H,6-7,15,17H2,1-5H3.
What are the key properties of tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate?
tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate has a molecular weight of 428.53 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-1-pyridinyl]butanoate is sourced from PubChem (CID 66696847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).