2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid

C15H19N3O4 — CID 155889448

IUPAC2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid
SMILESCC(C)(C)OC(=O)n1nc(CC(N)C(=O)O)c2ccccc21
InChIInChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)18-12-7-5-4-6-9(12)11(17-18)8-10(16)13(19)20/h4-7,10H,8,16H2,1-3H3,(H,19,20)
InChIKeyWSGNRIYLPIOQFH-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.77
Rot. Bonds3

About 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid

2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid (PubChem CID 155889448) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid
PubChem CID155889448
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid
SMILESCC(C)(C)OC(=O)n1nc(CC(N)C(=O)O)c2ccccc21
InChIInChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)18-12-7-5-4-6-9(12)11(17-18)8-10(16)13(19)20/h4-7,10H,8,16H2,1-3H3,(H,19,20)
InChIKeyWSGNRIYLPIOQFH-UHFFFAOYSA-N
XLogP1.77
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-(2-bromoethyl)indazole-1-carboxylate
CID 174529401
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid
CID 134209900
tert-butyl 3-(methylamino)indazole-1-carboxylate
CID 175803932
tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)indazole-1-carboxylate
CID 151462343
tert-butyl 3-(3-amino-2-carbamoyl-3-oxoprop-1-enyl)indazole-1-carboxylate
CID 143150338
tert-butyl 3-[4-(hydroxymethyl)phenyl]indazole-1-carboxylate
CID 67059747
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]methyl]-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 137356474
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate
CID 76846195
tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate
CID 143638302
(2S)-2-amino-3-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
CID 162691889

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid (CID 155889448) is 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid is CC(C)(C)OC(=O)n1nc(CC(N)C(=O)O)c2ccccc21.
What is the InChIKey of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid?
The InChIKey is WSGNRIYLPIOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)18-12-7-5-4-6-9(12)11(17-18)8-10(16)13(19)20/h4-7,10H,8,16H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid?
2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid is sourced from PubChem (CID 155889448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).