[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

C16H19N3O3 — CID 2630770

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O3/c1-10(15(20)17-11-6-2-3-7-11)22-16(21)14-12-8-4-5-9-13(12)18-19-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyLHXHXMRBUNCNEI-JTQLQIEISA-N
MW301.35 g/mol
LogP2.17
Rot. Bonds4

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 2630770) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
PubChem CID2630770
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O3/c1-10(15(20)17-11-6-2-3-7-11)22-16(21)14-12-8-4-5-9-13(12)18-19-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyLHXHXMRBUNCNEI-JTQLQIEISA-N
XLogP2.17
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (CID 2630770) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is LHXHXMRBUNCNEI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(15(20)17-11-6-2-3-7-11)22-16(21)14-12-8-4-5-9-13(12)18-19-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,20)(H,18,19)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2630770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).