methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H21NO5 — CID 11107667

IUPACmethyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)CC[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeySRVJJSKMYILGAM-QMMMGPOBSA-N
MW247.29 g/mol
LogP0.83
Rot. Bonds5

About methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 11107667) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID11107667
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Namemethyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)CC[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeySRVJJSKMYILGAM-QMMMGPOBSA-N
XLogP0.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
(2S)-2-{[(tert-butoxy)carbonyl]amino}pentanedioic acid
CID 2724758
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
2-{[(Tert-butoxy)carbonyl]amino}pentanedioic acid
CID 433622
(S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid
CID 7018756
2-(((Tert-butoxy)carbonyl)amino)-2-(oxan-4-yl)acetic acid
CID 22309198
Dimethyl N-(tert-Butoxycarbonyl)-L-glutamate
CID 2734644
(2S)-5-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CID 6993432
Boc-D-Glu-OMe
CID 7018752
(2R)-2-{[(tert-butoxy)carbonyl]amino}pentanedioic acid
CID 7019046
(4S)-5-(tert-butoxy)-4-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CID 6993444
(2R)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 6995000

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 11107667) is methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)CC[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is SRVJJSKMYILGAM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-8(7-13)5-6-9(14)16-4/h8,13H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1.
What are the key properties of methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 247.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 11107667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).