ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate

C15H20N2O4 — CID 85295930

IUPACethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate
SMILESCCOC(=O)NC(C(=O)N1CCC(O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)16-13(11-6-4-3-5-7-11)14(19)17-9-8-12(18)10-17/h3-7,12-13,18H,2,8-10H2,1H3,(H,16,20)
InChIKeyORXSTIDKHYMLDX-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.07
Rot. Bonds4

About ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate

ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate (PubChem CID 85295930) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate
PubChem CID85295930
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate
SMILESCCOC(=O)NC(C(=O)N1CCC(O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)16-13(11-6-4-3-5-7-11)14(19)17-9-8-12(18)10-17/h3-7,12-13,18H,2,8-10H2,1H3,(H,16,20)
InChIKeyORXSTIDKHYMLDX-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 107224574
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071
[(2S)-3-methylbutan-2-yl] 2-(ethoxycarbonylamino)-2-phenylacetate
CID 91750971
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 75432047
ethoxycarbonyl (2S)-2-(ethoxycarbonylamino)-2-phenylacetate
CID 102234074
ethyl 2-[4-[4-[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]piperazin-1-yl]phenyl]acetate
CID 71266252
N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66291291

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate (CID 85295930) is ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate is CCOC(=O)NC(C(=O)N1CCC(O)C1)c1ccccc1.
What is the InChIKey of ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is ORXSTIDKHYMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-21-15(20)16-13(11-6-4-3-5-7-11)14(19)17-9-8-12(18)10-17/h3-7,12-13,18H,2,8-10H2,1H3,(H,16,20).
What are the key properties of ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate?
ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 85295930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).