tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate

C14H21N3O3 — CID 129192624

IUPACtert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate
SMILESC[C@H](c1ccccn1)[C@@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C14H21N3O3/c1-9(10-7-5-6-8-16-10)11(12(15)18)17-13(19)20-14(2,3)4/h5-9,11H,1-4H3,(H2,15,18)(H,17,19)/t9-,11-/m1/s1
InChIKeyJZUQAWYDQHOJHO-MWLCHTKSSA-N
MW279.34 g/mol
LogP1.56
Rot. Bonds4

About tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate

tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate (PubChem CID 129192624) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate
PubChem CID129192624
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate
SMILESC[C@H](c1ccccn1)[C@@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C14H21N3O3/c1-9(10-7-5-6-8-16-10)11(12(15)18)17-13(19)20-14(2,3)4/h5-9,11H,1-4H3,(H2,15,18)(H,17,19)/t9-,11-/m1/s1
InChIKeyJZUQAWYDQHOJHO-MWLCHTKSSA-N
XLogP1.56
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate with MolForge

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Related Compounds

(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid
CID 124654287
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
tert-butyl N-[(2S,3S)-1-amino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7035922
methyl 2-methyl-3-pyridin-2-ylbutanoate
CID 102470935
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-2-ylpentyl]carbamate
CID 67671661
methyl 2-[[(1R,2S,5S)-3-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-3-pyridin-2-ylbutanoate
CID 170164889
tert-butyl N-[1-amino-1-oxo-3-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67775660
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81402004
tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate
CID 133061507
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate (CID 129192624) is tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate is C[C@H](c1ccccn1)[C@@H](NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate?
The InChIKey is JZUQAWYDQHOJHO-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(10-7-5-6-8-16-10)11(12(15)18)17-13(19)20-14(2,3)4/h5-9,11H,1-4H3,(H2,15,18)(H,17,19)/t9-,11-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate?
tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate is sourced from PubChem (CID 129192624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).