tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate

C16H29NO6 — CID 10830351

IUPACtert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)C[C@@H](O)[C@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO6/c1-15(2,3)22-12(20)9-11(19)13-10(18)7-8-17(13)14(21)23-16(4,5)6/h10-11,13,18-19H,7-9H2,1-6H3/t10-,11+,13+/m0/s1
InChIKeyIKQYTQYJICVNEV-DMDPSCGWSA-N
MW331.41 g/mol
LogP1.45
Rot. Bonds3

About tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate

tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 10830351) has the molecular formula C16H29NO6 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
PubChem CID10830351
Molecular FormulaC16H29NO6
Molecular Weight331.41 g/mol
Exact Mass331.20
IUPAC Nametert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)C[C@@H](O)[C@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO6/c1-15(2,3)22-12(20)9-11(19)13-10(18)7-8-17(13)14(21)23-16(4,5)6/h10-11,13,18-19H,7-9H2,1-6H3/t10-,11+,13+/m0/s1
InChIKeyIKQYTQYJICVNEV-DMDPSCGWSA-N
XLogP1.45
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3aR,7S,7aR)-7-hydroxy-5-oxo-2,3,3a,6,7,7a-hexahydropyrano[3,2-b]pyrrole-1-carboxylate
CID 11379862
(2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 10659844
N-Boc-dolaproine-methyl
CID 11346731
tert-Butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate
CID 67269775
tert-butyl (2S)-2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-5-oxopyrrolidine-1-carboxylate
CID 122389745
tert-butyl (2S)-2-(1-hydroxy-3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 134975397
tert-butyl (4S)-4-fluoro-2-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 165669099
tert-butyl (4S)-4-fluoro-2-[(1S)-1-hydroxy-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 165675622
3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid
CID 10015415
(R)-tert-Butyl 2-((R)-3-ethoxy-1-hydroxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10379312
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10645646
(3R)-3-methoxy-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10826119

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate (CID 10830351) is tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)C[C@@H](O)[C@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?
The InChIKey is IKQYTQYJICVNEV-DMDPSCGWSA-N. The full InChI is InChI=1S/C16H29NO6/c1-15(2,3)22-12(20)9-11(19)13-10(18)7-8-17(13)14(21)23-16(4,5)6/h10-11,13,18-19H,7-9H2,1-6H3/t10-,11+,13+/m0/s1.
What are the key properties of tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate?
tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10830351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).