ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate

C18H24N4O4 — CID 97247416

IUPACethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
SMILESCCOC(=O)C[C@@H](C)CNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H24N4O4/c1-4-26-15(23)9-11(2)10-19-17(24)12(3)20-18(25)16-13-7-5-6-8-14(13)21-22-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,24)(H,20,25)(H,21,22)/t11-,12+/m1/s1
InChIKeyFEBPLFNWFBZQLW-NEPJUHHUSA-N
MW360.41 g/mol
LogP1.39
Rot. Bonds8

About ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate

ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate (PubChem CID 97247416) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
PubChem CID97247416
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
SMILESCCOC(=O)C[C@@H](C)CNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H24N4O4/c1-4-26-15(23)9-11(2)10-19-17(24)12(3)20-18(25)16-13-7-5-6-8-14(13)21-22-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,24)(H,20,25)(H,21,22)/t11-,12+/m1/s1
InChIKeyFEBPLFNWFBZQLW-NEPJUHHUSA-N
XLogP1.39
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate with MolForge

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Related Compounds

N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302
N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887344
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate?
The IUPAC name of ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate (CID 97247416) is ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate.
What is the SMILES notation for ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate?
The canonical SMILES for ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate is CCOC(=O)C[C@@H](C)CNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate?
The InChIKey is FEBPLFNWFBZQLW-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-26-15(23)9-11(2)10-19-17(24)12(3)20-18(25)16-13-7-5-6-8-14(13)21-22-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,24)(H,20,25)(H,21,22)/t11-,12+/m1/s1.
What are the key properties of ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate?
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate has a molecular weight of 360.41 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate is sourced from PubChem (CID 97247416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).