tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate

C22H27N3O4 — CID 142943619

IUPACtert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-22(2,3)29-21(28)24-18-8-6-7-17(18)23-20(27)15-10-12-16(13-11-15)25-14-5-4-9-19(25)26/h4-5,9-14,17-18H,6-8H2,1-3H3,(H,23,27)(H,24,28)/t17?,18-/m0/s1
InChIKeyOLSCJSMHOFUEBU-ZVAWYAOSSA-N
MW397.48 g/mol
LogP3.01
Rot. Bonds4

About tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate

tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate (PubChem CID 142943619) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
PubChem CID142943619
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Nametert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C22H27N3O4/c1-22(2,3)29-21(28)24-18-8-6-7-17(18)23-20(27)15-10-12-16(13-11-15)25-14-5-4-9-19(25)26/h4-5,9-14,17-18H,6-8H2,1-3H3,(H,23,27)(H,24,28)/t17?,18-/m0/s1
InChIKeyOLSCJSMHOFUEBU-ZVAWYAOSSA-N
XLogP3.01
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate (CID 142943619) is tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCC1NC(=O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate?
The InChIKey is OLSCJSMHOFUEBU-ZVAWYAOSSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-22(2,3)29-21(28)24-18-8-6-7-17(18)23-20(27)15-10-12-16(13-11-15)25-14-5-4-9-19(25)26/h4-5,9-14,17-18H,6-8H2,1-3H3,(H,23,27)(H,24,28)/t17?,18-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate?
tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate has a molecular weight of 397.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 142943619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).