methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate

C14H18N4O3 — CID 61110565

IUPACmethyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1n[nH]c2ccc(N)cc12)C(C)C
InChIInChI=1S/C14H18N4O3/c1-8(2)18(7-12(19)21-3)14(20)13-10-6-9(15)4-5-11(10)16-17-13/h4-6,8H,7,15H2,1-3H3,(H,16,17)
InChIKeyVQTWBBKKXRNYAV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 61110565) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID61110565
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namemethyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1n[nH]c2ccc(N)cc12)C(C)C
InChIInChI=1S/C14H18N4O3/c1-8(2)18(7-12(19)21-3)14(20)13-10-6-9(15)4-5-11(10)16-17-13/h4-6,8H,7,15H2,1-3H3,(H,16,17)
InChIKeyVQTWBBKKXRNYAV-UHFFFAOYSA-N
XLogP1.17
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxyethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 54944396
5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
CID 94177007
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
CID 81053101
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
5-amino-N,N-bis(cyanomethyl)-1H-indazole-3-carboxamide
CID 54944392
5-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-indazole-3-carboxamide
CID 115985170

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate (CID 61110565) is methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1n[nH]c2ccc(N)cc12)C(C)C.
What is the InChIKey of methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is VQTWBBKKXRNYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8(2)18(7-12(19)21-3)14(20)13-10-6-9(15)4-5-11(10)16-17-13/h4-6,8H,7,15H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 290.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 61110565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).