tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate

C15H19N3O3 — CID 80999514

IUPACtert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O3/c1-9(14(20)21-15(2,3)4)17-13(19)10-5-6-12-11(7-10)8-16-18-12/h5-9H,1-4H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeyDKJYBCGFGYYYIB-SECBINFHSA-N
MW289.33 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate

tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate (PubChem CID 80999514) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
PubChem CID80999514
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nametert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O3/c1-9(14(20)21-15(2,3)4)17-13(19)10-5-6-12-11(7-10)8-16-18-12/h5-9H,1-4H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeyDKJYBCGFGYYYIB-SECBINFHSA-N
XLogP2.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
N-methyl-1H-indazole-5-carboxamide
CID 22934041
tert-butyl 2-(pyridazine-4-carbonylamino)propanoate
CID 154674168
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate (CID 80999514) is tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate is C[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate?
The InChIKey is DKJYBCGFGYYYIB-SECBINFHSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(14(20)21-15(2,3)4)17-13(19)10-5-6-12-11(7-10)8-16-18-12/h5-9H,1-4H3,(H,16,18)(H,17,19)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate?
tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate has a molecular weight of 289.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate is sourced from PubChem (CID 80999514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).