benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate

C24H29N5O5 — CID 15516252

IUPACbenzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)c1nnn(CC(=O)OCc2ccccc2)n1
InChIInChI=1S/C24H29N5O5/c1-24(2,3)34-23(32)25-19(14-17-10-6-4-7-11-17)21(31)22-26-28-29(27-22)15-20(30)33-16-18-12-8-5-9-13-18/h4-13,19,21,31H,14-16H2,1-3H3,(H,25,32)/t19-,21-/m0/s1
InChIKeyHLWWPOSGTWDFJD-FPOVZHCZSA-N
MW467.53 g/mol
LogP2.59
Rot. Bonds9

About benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate

benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate (PubChem CID 15516252) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate
PubChem CID15516252
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Namebenzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)c1nnn(CC(=O)OCc2ccccc2)n1
InChIInChI=1S/C24H29N5O5/c1-24(2,3)34-23(32)25-19(14-17-10-6-4-7-11-17)21(31)22-26-28-29(27-22)15-20(30)33-16-18-12-8-5-9-13-18/h4-13,19,21,31H,14-16H2,1-3H3,(H,25,32)/t19-,21-/m0/s1
InChIKeyHLWWPOSGTWDFJD-FPOVZHCZSA-N
XLogP2.59
TPSA128.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate with MolForge

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Related Compounds

tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
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
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
benzyl 5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 3785894
tert-butyl N-[(2S)-1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 14523258
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
benzyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-3-methylbutanoate
CID 11059968
methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate
CID 15343740
4-O-benzyl 1-O-tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 14379015
benzyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoate
CID 51354787
benzyl 4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylidenebutanoate
CID 10088509

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate?
The IUPAC name of benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate (CID 15516252) is benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate.
What is the SMILES notation for benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate?
The canonical SMILES for benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)c1nnn(CC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate?
The InChIKey is HLWWPOSGTWDFJD-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-24(2,3)34-23(32)25-19(14-17-10-6-4-7-11-17)21(31)22-26-28-29(27-22)15-20(30)33-16-18-12-8-5-9-13-18/h4-13,19,21,31H,14-16H2,1-3H3,(H,25,32)/t19-,21-/m0/s1.
What are the key properties of benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate?
benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate has a molecular weight of 467.53 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate is sourced from PubChem (CID 15516252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).