methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate

C15H19NO5 — CID 11346891

IUPACmethyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
InChIInChI=1S/C15H19NO5/c1-19-14(17)13(9-11-5-3-2-4-6-11)16-15(18)21-12-7-8-20-10-12/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyUBRXQCIXHYOARB-STQMWFEESA-N
MW293.32 g/mol
LogP1.29
Rot. Bonds5

About methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate

methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate (PubChem CID 11346891) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate
PubChem CID11346891
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
InChIInChI=1S/C15H19NO5/c1-19-14(17)13(9-11-5-3-2-4-6-11)16-15(18)21-12-7-8-20-10-12/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyUBRXQCIXHYOARB-STQMWFEESA-N
XLogP1.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-oxolan-3-yl] N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
CID 11426934
oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 22997110
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 121312254
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
CID 88626910
CID 88626910
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate;oxolane
CID 139079471
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
(2S)-2-[[(3R)-oxolan-3-yl]oxycarbonylamino]propanoic acid
CID 90999920
methyl (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate
CID 7116346
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate (CID 11346891) is methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1.
What is the InChIKey of methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate?
The InChIKey is UBRXQCIXHYOARB-STQMWFEESA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-14(17)13(9-11-5-3-2-4-6-11)16-15(18)21-12-7-8-20-10-12/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate?
methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate has a molecular weight of 293.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate is sourced from PubChem (CID 11346891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).