tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate

C14H21N3O4 — CID 170631937

IUPACtert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate
SMILESCOc1ncccc1CC(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-10(11(15)18)8-9-6-5-7-16-12(9)20-4/h5-7,10H,8H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyWLFVFSCVGVGURT-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.01
Rot. Bonds5

About tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate (PubChem CID 170631937) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate
PubChem CID170631937
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nametert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate
SMILESCOc1ncccc1CC(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-10(11(15)18)8-9-6-5-7-16-12(9)20-4/h5-7,10H,8H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyWLFVFSCVGVGURT-UHFFFAOYSA-N
XLogP1.01
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79019960
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 163143488
(2S)-3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 121233378
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
tert-butyl N-[1-amino-1-oxo-3-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67775660
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
(2S)-3-(5-chloro-2-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867
tert-butyl N-[1-amino-3-(3-bromophenyl)-1-oxopropan-2-yl]carbamate
CID 12831198
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]carbamate
CID 110677846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate (CID 170631937) is tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate is COc1ncccc1CC(NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is WLFVFSCVGVGURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-10(11(15)18)8-9-6-5-7-16-12(9)20-4/h5-7,10H,8H2,1-4H3,(H2,15,18)(H,17,19).
What are the key properties of tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-3-(2-methoxy-3-pyridinyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 170631937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).