methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate

C26H35NO7 — CID 134833631

IUPACmethyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate
SMILESCOC[C@H](NC(=O)OC(C)(C)C)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)OC
InChIInChI=1S/C26H35NO7/c1-26(2,3)34-25(29)27-21(18-30-4)22(32-16-19-12-8-6-9-13-19)23(24(28)31-5)33-17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,27,29)/t21-,22-,23-/m0/s1
InChIKeyMPGVCQFCZGUBRA-VABKMULXSA-N
MW473.57 g/mol
LogP3.87
Rot. Bonds12

About methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate

methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate (PubChem CID 134833631) has the molecular formula C26H35NO7 and a molecular weight of 473.57 g/mol. Its IUPAC name is methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate.

Molecular Properties

Compound Namemethyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate
PubChem CID134833631
Molecular FormulaC26H35NO7
Molecular Weight473.57 g/mol
Exact Mass473.24
IUPAC Namemethyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate
SMILESCOC[C@H](NC(=O)OC(C)(C)C)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)OC
InChIInChI=1S/C26H35NO7/c1-26(2,3)34-25(29)27-21(18-30-4)22(32-16-19-12-8-6-9-13-19)23(24(28)31-5)33-17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,27,29)/t21-,22-,23-/m0/s1
InChIKeyMPGVCQFCZGUBRA-VABKMULXSA-N
XLogP3.87
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate with MolForge

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Related Compounds

[(3R,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 76328378
diethyl N-benzyloxycarbonylglutamate
CID 10958661
Glutamic acid, N-carboxy-, N,5-dibenzyl ester, sodium salt, L-
CID 23698018
Glutamic acid, N-carboxy-, N,5-dibenzyl ester, sodium salt, D-
CID 23698019
diethyl (2R)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 11121264
ethyl 3-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 44405814
[(2R,3R,4S,5S)-2-azido-5-[(1S)-2-(dodecylamino)-2-oxo-1-phenylmethoxyethyl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 171344880
[(2S,3R,4S,5S)-2-azido-5-[(1S)-2-(dodecylamino)-2-oxo-1-phenylmethoxyethyl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 171353097
3-[[(5S)-6-benzyloxy-5-(benzyloxycarbonylamino)-6-oxo-hexyl]carbamoyl]-3-hydroxy-5-methoxy-5-oxo-pentanoic acid
CID 49767762
5-Benzyl 1-methyl N-(tert-butoxycarbonyl)-L-glutamate
CID 13943070
2-Tert-butoxycarbonylamino-pentanedioic acid 5-benzyl ester 1-tert-butyl ester
CID 14582134
(S)-1-Benzyl 5-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate
CID 16037340

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate?
The IUPAC name of methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate (CID 134833631) is methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate.
What is the SMILES notation for methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate?
The canonical SMILES for methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate is COC[C@H](NC(=O)OC(C)(C)C)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate?
The InChIKey is MPGVCQFCZGUBRA-VABKMULXSA-N. The full InChI is InChI=1S/C26H35NO7/c1-26(2,3)34-25(29)27-21(18-30-4)22(32-16-19-12-8-6-9-13-19)23(24(28)31-5)33-17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,27,29)/t21-,22-,23-/m0/s1.
What are the key properties of methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate?
methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate has a molecular weight of 473.57 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate is sourced from PubChem (CID 134833631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).