tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate

C19H22N2O4 — CID 133061507

IUPACtert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate
SMILESCC(C)(C)OC(=O)C(NC(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-17(22)16(15-11-7-8-12-20-15)21-18(23)24-13-14-9-5-4-6-10-14/h4-12,16H,13H2,1-3H3,(H,21,23)
InChIKeyLHSMMKQVUZARDR-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.39
Rot. Bonds5

About tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate

tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate (PubChem CID 133061507) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate
PubChem CID133061507
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Nametert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate
SMILESCC(C)(C)OC(=O)C(NC(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-17(22)16(15-11-7-8-12-20-15)21-18(23)24-13-14-9-5-4-6-10-14/h4-12,16H,13H2,1-3H3,(H,21,23)
InChIKeyLHSMMKQVUZARDR-UHFFFAOYSA-N
XLogP3.39
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 10903400
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
tert-butyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
CID 10915135
(3S)-3-(phenylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 103667738
tert-butyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 15600481
tert-butyl (2S)-3-bromo-2-(phenylmethoxycarbonylamino)propanoate
CID 140830788
tert-butyl (2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
CID 54562701
tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 171782458
tert-butyl N-[(2S)-2-hydroxy-4-phenylbutyl]-N-[(2-phenylmethoxycarbonylhydrazinyl)-pyridin-2-ylmethyl]carbamate
CID 70058220
tert-butyl (2S)-2-(phenylmethoxycarbonylamino)pent-4-ynoate
CID 150767368
phenylmethoxycarbonyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 46946616
benzyl (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 124930565

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate?
The IUPAC name of tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate (CID 133061507) is tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate.
What is the SMILES notation for tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate?
The canonical SMILES for tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate is CC(C)(C)OC(=O)C(NC(=O)OCc1ccccc1)c1ccccn1.
What is the InChIKey of tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate?
The InChIKey is LHSMMKQVUZARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,3)25-17(22)16(15-11-7-8-12-20-15)21-18(23)24-13-14-9-5-4-6-10-14/h4-12,16H,13H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate?
tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate has a molecular weight of 342.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate is sourced from PubChem (CID 133061507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).