tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate

C22H27N3O3 — CID 66703773

IUPACtert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)Cn1cc2ccccc2n1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)28-21(27)23-19(13-16-9-5-4-6-10-16)20(26)15-25-14-17-11-7-8-12-18(17)24-25/h4-12,14,19-20,26H,13,15H2,1-3H3,(H,23,27)/t19-,20-/m1/s1
InChIKeyHTMNYKFTDAGBHA-WOJBJXKFSA-N
MW381.48 g/mol
LogP3.53
Rot. Bonds6

About tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate

tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate (PubChem CID 66703773) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate
PubChem CID66703773
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Nametert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)Cn1cc2ccccc2n1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)28-21(27)23-19(13-16-9-5-4-6-10-16)20(26)15-25-14-17-11-7-8-12-18(17)24-25/h4-12,14,19-20,26H,13,15H2,1-3H3,(H,23,27)/t19-,20-/m1/s1
InChIKeyHTMNYKFTDAGBHA-WOJBJXKFSA-N
XLogP3.53
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R,3R)-3-hydroxy-4-imidazol-1-yl-1-phenylbutan-2-yl]carbamate
CID 66703721
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl N-[(2S,3R)-4-cyano-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 68888451
(2S,4S,5S)-2-benzyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid
CID 10070341
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2S,3R)-3-hydroxy-6-methyl-5-methylidene-1-phenylheptan-2-yl]carbamate
CID 10404599
tert-butyl N-[(2R,3R)-3-hydroxy-4-nitro-1-phenylbutan-2-yl]carbamate
CID 86755418
[(2S,3S)-3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-methylamino]-1-phenylbutan-2-yl]carbamic acid
CID 70052352
tert-butyl N-[(2S,3R)-5-benzyl-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 11315041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate (CID 66703773) is tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)Cn1cc2ccccc2n1.
What is the InChIKey of tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate?
The InChIKey is HTMNYKFTDAGBHA-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)28-21(27)23-19(13-16-9-5-4-6-10-16)20(26)15-25-14-17-11-7-8-12-18(17)24-25/h4-12,14,19-20,26H,13,15H2,1-3H3,(H,23,27)/t19-,20-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate?
tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate has a molecular weight of 381.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-3-hydroxy-4-indazol-2-yl-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 66703773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).