tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate

C16H29NO7 — CID 101026431

IUPACtert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
SMILESC[C@H]1O[C@@H](C(NC(=O)OC(C)(C)C)[C@H]2COC(C)(C)O2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H29NO7/c1-8-11(18)12(19)13(22-8)10(9-7-21-16(5,6)23-9)17-14(20)24-15(2,3)4/h8-13,18-19H,7H2,1-6H3,(H,17,20)/t8-,9-,10?,11-,12+,13+/m1/s1
InChIKeyXUFAYMVWULFALT-ZTQRRVRNSA-N
MW347.41 g/mol
LogP0.54
Rot. Bonds3

About tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate

tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate (PubChem CID 101026431) has the molecular formula C16H29NO7 and a molecular weight of 347.41 g/mol. Its IUPAC name is tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
PubChem CID101026431
Molecular FormulaC16H29NO7
Molecular Weight347.41 g/mol
Exact Mass347.19
IUPAC Nametert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
SMILESC[C@H]1O[C@@H](C(NC(=O)OC(C)(C)C)[C@H]2COC(C)(C)O2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H29NO7/c1-8-11(18)12(19)13(22-8)10(9-7-21-16(5,6)23-9)17-14(20)24-15(2,3)4/h8-13,18-19H,7H2,1-6H3,(H,17,20)/t8-,9-,10?,11-,12+,13+/m1/s1
InChIKeyXUFAYMVWULFALT-ZTQRRVRNSA-N
XLogP0.54
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]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

methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101265838
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11186180
methyl (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11438503
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl 2-[(1R,2R)-1,2-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]acetate
CID 11260368
methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
CID 130024154
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 102153922
(2S)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 132516469
tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
CID 58959909
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
tert-butyl (2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpent-4-enoate
CID 90334062

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate (CID 101026431) is tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate is C[C@H]1O[C@@H](C(NC(=O)OC(C)(C)C)[C@H]2COC(C)(C)O2)[C@@H](O)[C@@H]1O.
What is the InChIKey of tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The InChIKey is XUFAYMVWULFALT-ZTQRRVRNSA-N. The full InChI is InChI=1S/C16H29NO7/c1-8-11(18)12(19)13(22-8)10(9-7-21-16(5,6)23-9)17-14(20)24-15(2,3)4/h8-13,18-19H,7H2,1-6H3,(H,17,20)/t8-,9-,10?,11-,12+,13+/m1/s1.
What are the key properties of tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate has a molecular weight of 347.41 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate is sourced from PubChem (CID 101026431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).