tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate

C15H30N2O4 — CID 101346841

IUPACtert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C15H30N2O4/c1-9(2)11(17-14(20)21-15(3,4)5)13(19)12(18)10-7-6-8-16-10/h9-13,16,18-19H,6-8H2,1-5H3,(H,17,20)/t10-,11-,12-,13-/m0/s1
InChIKeyTYAFWGHRHMYCGO-CYDGBPFRSA-N
MW302.42 g/mol
LogP1.01
Rot. Bonds5

About tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate

tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate (PubChem CID 101346841) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
PubChem CID101346841
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nametert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C15H30N2O4/c1-9(2)11(17-14(20)21-15(3,4)5)13(19)12(18)10-7-6-8-16-10/h9-13,16,18-19H,6-8H2,1-5H3,(H,17,20)/t10-,11-,12-,13-/m0/s1
InChIKeyTYAFWGHRHMYCGO-CYDGBPFRSA-N
XLogP1.01
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate
CID 174380808
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CID 102037529
methyl (3S,4S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10891099
tert-butyl N-[(3S,4R)-4-hydroxy-2,7,7-trimethyl-6-oxooctan-3-yl]carbamate
CID 6917568
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
CID 86330307
tert-butyl N-[(2S,3S)-2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamate
CID 121280859
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
tert-butyl (2S)-2-(azetidin-2-yl)-2-hydroxyacetate
CID 67425861
tert-butyl (2S)-2-[[2-hydroxy-2-[(2S)-pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoate
CID 10757659
tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
CID 20795477
tert-butyl N-[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]carbamate
CID 139674733
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate (CID 101346841) is tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
The InChIKey is TYAFWGHRHMYCGO-CYDGBPFRSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-9(2)11(17-14(20)21-15(3,4)5)13(19)12(18)10-7-6-8-16-10/h9-13,16,18-19H,6-8H2,1-5H3,(H,17,20)/t10-,11-,12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate?
tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate is sourced from PubChem (CID 101346841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).