prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C11H19NO5 — CID 11356996

IUPACprop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC=CCOC(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-5-6-16-9(14)8(7-13)12-10(15)17-11(2,3)4/h5,8,13H,1,6-7H2,2-4H3,(H,12,15)/t8-/m0/s1
InChIKeyUXCJZSOZYIDKFL-QMMMGPOBSA-N
MW245.27 g/mol
LogP0.60
Rot. Bonds5

About prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 11356996) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID11356996
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Nameprop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC=CCOC(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-5-6-16-9(14)8(7-13)12-10(15)17-11(2,3)4/h5,8,13H,1,6-7H2,2-4H3,(H,12,15)/t8-/m0/s1
InChIKeyUXCJZSOZYIDKFL-QMMMGPOBSA-N
XLogP0.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Boc-D-serine methyl ester
CID 377723
N-Boc-L-serine methyl ester
CID 7019177
(2S)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CID 7017896
Methyl N-(tert-butoxycarbonyl)serinate
CID 495564
ethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate
CID 13819295
Propan-2-yl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate
CID 89821821
2-{[(Tert-butoxy)carbonyl]amino}-3-ethoxypropanoic acid
CID 23138129
3-(Acetyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
CID 78438157
Boc-Ser-Otbu
CID 7019054
tert-Butyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate
CID 13304921
methyl (2S)-2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]-3-hydroxypropanoate
CID 57105415
(S)-3-Allyloxy-2-tert-butoxycarbonylamino-propionic acid methyl ester
CID 57846413

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 11356996) is prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C=CCOC(=O)[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is UXCJZSOZYIDKFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO5/c1-5-6-16-9(14)8(7-13)12-10(15)17-11(2,3)4/h5,8,13H,1,6-7H2,2-4H3,(H,12,15)/t8-/m0/s1.
What are the key properties of prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 245.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 11356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).