methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate

C22H25N5O5 — CID 15343740

IUPACmethyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate
SMILESCOC(=O)[C@H](C)n1nnnc1[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H25N5O5/c1-15(21(29)31-2)27-20(24-25-26-27)19(28)18(13-16-9-5-3-6-10-16)23-22(30)32-14-17-11-7-4-8-12-17/h3-12,15,18-19,28H,13-14H2,1-2H3,(H,23,30)/t15-,18-,19-/m0/s1
InChIKeySUEIFEKTVMSPMM-SNRMKQJTSA-N
MW439.47 g/mol
LogP1.98
Rot. Bonds9

About methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate

methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate (PubChem CID 15343740) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate
PubChem CID15343740
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Namemethyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate
SMILESCOC(=O)[C@H](C)n1nnnc1[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H25N5O5/c1-15(21(29)31-2)27-20(24-25-26-27)19(28)18(13-16-9-5-3-6-10-16)23-22(30)32-14-17-11-7-4-8-12-17/h3-12,15,18-19,28H,13-14H2,1-2H3,(H,23,30)/t15-,18-,19-/m0/s1
InChIKeySUEIFEKTVMSPMM-SNRMKQJTSA-N
XLogP1.98
TPSA128.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate 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

methyl 2-[5-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]tetrazol-1-yl]propanoate
CID 122439526
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
benzyl N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyl-1,6-diphenylhexan-2-yl]carbamate
CID 58416941
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450
methyl (3R,4S)-3-hydroxy-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 139247104
benzyl 2-[5-[(1S,2S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]tetrazol-2-yl]acetate
CID 15516252
benzyl N-[(1R,2S)-1-(4-bromophenyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 139886115
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
methyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11271071
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
benzyl N-[(1S,2R)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 11077778
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
CID 54429154

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate (CID 15343740) is methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate is COC(=O)[C@H](C)n1nnnc1[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate?
The InChIKey is SUEIFEKTVMSPMM-SNRMKQJTSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-15(21(29)31-2)27-20(24-25-26-27)19(28)18(13-16-9-5-3-6-10-16)23-22(30)32-14-17-11-7-4-8-12-17/h3-12,15,18-19,28H,13-14H2,1-2H3,(H,23,30)/t15-,18-,19-/m0/s1.
What are the key properties of methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate?
methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate has a molecular weight of 439.47 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[5-[(1S,2S)-1-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]tetrazol-1-yl]propanoate is sourced from PubChem (CID 15343740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).