methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate

C13H17N3O2 — CID 58864508

IUPACmethyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate
SMILESCCc1cc(CC(N)C(=O)OC)cc2cn[nH]c12
InChIInChI=1S/C13H17N3O2/c1-3-9-4-8(6-11(14)13(17)18-2)5-10-7-15-16-12(9)10/h4-5,7,11H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyXVBDOJTZMGJLDM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate

methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate (PubChem CID 58864508) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate
PubChem CID58864508
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate
SMILESCCc1cc(CC(N)C(=O)OC)cc2cn[nH]c12
InChIInChI=1S/C13H17N3O2/c1-3-9-4-8(6-11(14)13(17)18-2)5-10-7-15-16-12(9)10/h4-5,7,11H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyXVBDOJTZMGJLDM-UHFFFAOYSA-N
XLogP1.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
CID 58864314
(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 155388857
methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
CID 170884317
3-O-benzyl 1-O-methyl (2R)-2-[(7-methyl-1H-indazol-5-yl)methyl]propanedioate
CID 66603910
1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one
CID 143075476
methyl (2S)-2-amino-3-(3,5-dibromophenyl)propanoate
CID 134210491
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
methyl (2S)-2-amino-3-(5-hydroxy-3-pyridinyl)propanoate
CID 55252997
methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
CID 170884311
methyl (2R)-2-amino-3-(4-amino-3,5-dibromophenyl)propanoate;hydrochloride
CID 11545546

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate (CID 58864508) is methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate is CCc1cc(CC(N)C(=O)OC)cc2cn[nH]c12.
What is the InChIKey of methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate?
The InChIKey is XVBDOJTZMGJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-9-4-8(6-11(14)13(17)18-2)5-10-7-15-16-12(9)10/h4-5,7,11H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate?
methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate has a molecular weight of 247.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate is sourced from PubChem (CID 58864508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).