tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate

C13H19N3O3 — CID 88578728

IUPACtert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-11(8-17)6-10-5-4-9(14)7-15-10/h4-5,7-8,11H,6,14H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyGLQVCTOXNVLXRR-NSHDSACASA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds4

About tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate (PubChem CID 88578728) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate
PubChem CID88578728
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nametert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-11(8-17)6-10-5-4-9(14)7-15-10/h4-5,7-8,11H,6,14H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyGLQVCTOXNVLXRR-NSHDSACASA-N
XLogP1.30
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-5-(5-amino-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11623978
tert-butyl N-[(2S)-1-oxo-3-(1,2,4,5-tetrazin-3-yl)propan-2-yl]carbamate
CID 170231767
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
tert-butyl N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]carbamate
CID 76826502
tert-butyl N-[(2S)-1-[4-(diaminomethylideneamino)phenyl]-3-oxopropan-2-yl]carbamate
CID 22876444
tert-butyl N-[(2S)-1-(4-bromo-1,3-thiazol-2-yl)-3-oxopropan-2-yl]carbamate
CID 175303970
tert-butyl N-[1-(2-methoxyphenyl)-3-oxopropan-2-yl]carbamate
CID 84730394
tert-butyl N-[(2S)-1-oxo-3-[4-(4-phenoxyphenoxy)phenyl]propan-2-yl]carbamate
CID 91581048
tert-butyl N-[(2R)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 51356831
[6-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-3-pyridinyl]boronic acid
CID 123302805
tert-butyl N-[1-[4-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]-3-oxopropan-2-yl]carbamate
CID 142107001
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate (CID 88578728) is tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](C=O)Cc1ccc(N)cn1.
What is the InChIKey of tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate?
The InChIKey is GLQVCTOXNVLXRR-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-11(8-17)6-10-5-4-9(14)7-15-10/h4-5,7-8,11H,6,14H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(5-amino-2-pyridinyl)-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 88578728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).