ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate

C11H20N2O4 — CID 82775121

IUPACethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CCCC1C(N)=O
InChIInChI=1S/C11H20N2O4/c1-2-17-10(15)6-8(14)7-13-5-3-4-9(13)11(12)16/h8-9,14H,2-7H2,1H3,(H2,12,16)
InChIKeyYTPKICSELISSSW-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.75
Rot. Bonds6

About ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate

ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate (PubChem CID 82775121) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
PubChem CID82775121
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CCCC1C(N)=O
InChIInChI=1S/C11H20N2O4/c1-2-17-10(15)6-8(14)7-13-5-3-4-9(13)11(12)16/h8-9,14H,2-7H2,1H3,(H2,12,16)
InChIKeyYTPKICSELISSSW-UHFFFAOYSA-N
XLogP-0.75
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82770626
(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124735118
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
CID 103484289
ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate
CID 82775103
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
ethyl 3-hydroxy-4-(3-hydroxypiperidin-1-yl)butanoate
CID 82769218
1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 65449436
1-(3-amino-2-ethoxypropyl)piperidine-2-carboxamide
CID 63071979
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 75402215
ethyl 1-(3-chloro-2-hydroxypropyl)piperidine-2-carboxylate
CID 112561825
ethyl 4-(3-ethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82778322
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate (CID 82775121) is ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate is CCOC(=O)CC(O)CN1CCCC1C(N)=O.
What is the InChIKey of ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate?
The InChIKey is YTPKICSELISSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-17-10(15)6-8(14)7-13-5-3-4-9(13)11(12)16/h8-9,14H,2-7H2,1H3,(H2,12,16).
What are the key properties of ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate?
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate has a molecular weight of 244.29 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate is sourced from PubChem (CID 82775121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).