tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate

C16H25N3O4 — CID 97357103

IUPACtert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Nc1ccc([C@H](N)C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H25N3O4/c1-15(2,3)22-13(20)12(17)11-8-7-10(9-18-11)19-14(21)23-16(4,5)6/h7-9,12H,17H2,1-6H3,(H,19,21)/t12-/m0/s1
InChIKeyOBRKWOZDXSUDGK-LBPRGKRZSA-N
MW323.39 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate

tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate (PubChem CID 97357103) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
PubChem CID97357103
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nametert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)Nc1ccc([C@H](N)C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H25N3O4/c1-15(2,3)22-13(20)12(17)11-8-7-10(9-18-11)19-14(21)23-16(4,5)6/h7-9,12H,17H2,1-6H3,(H,19,21)/t12-/m0/s1
InChIKeyOBRKWOZDXSUDGK-LBPRGKRZSA-N
XLogP2.77
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate with MolForge

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Related Compounds

tert-butyl N-[6-[2-(4-chlorophenyl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
CID 167156948
tert-butyl N-[6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-2-methylpropyl]-3-pyridinyl]carbamate
CID 164562639
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
CID 130338485
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
diethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]amino]propanedioate
CID 69267799
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate?
The IUPAC name of tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate (CID 97357103) is tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate.
What is the SMILES notation for tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate?
The canonical SMILES for tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate is CC(C)(C)OC(=O)Nc1ccc([C@H](N)C(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate?
The InChIKey is OBRKWOZDXSUDGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-15(2,3)22-13(20)12(17)11-8-7-10(9-18-11)19-14(21)23-16(4,5)6/h7-9,12H,17H2,1-6H3,(H,19,21)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate?
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate has a molecular weight of 323.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate is sourced from PubChem (CID 97357103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).