benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C17H23N3O4 — CID 56804335

IUPACbenzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCNC(=O)NC(=O)CN1CCCC1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O4/c1-2-18-17(23)19-15(21)11-20-10-6-9-14(20)16(22)24-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,18,19,21,23)
InChIKeyMAIMCEHXCVMBDI-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.04
Rot. Bonds6

About benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 56804335) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID56804335
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namebenzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCNC(=O)NC(=O)CN1CCCC1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O4/c1-2-18-17(23)19-15(21)11-20-10-6-9-14(20)16(22)24-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,18,19,21,23)
InChIKeyMAIMCEHXCVMBDI-UHFFFAOYSA-N
XLogP1.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 59049648
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate
CID 67865577
benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
CID 170991850
2-[(2S)-2-[(3S)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 124732613
N-(ethylcarbamoyl)-2-[2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51098388
benzyl (2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propyl]pyrrolidine-2-carboxylate
CID 101460182
benzyl (2S)-1-(aminomethyl)piperidine-2-carboxylate;benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 159940810
ethyl 4-[2-(benzylcarbamoylamino)-2-oxoethyl]thiomorpholine-3-carboxylate
CID 46481619
benzyl (2S)-1-but-3-ynylpyrrolidine-2-carboxylate
CID 10061025

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 56804335) is benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is CCNC(=O)NC(=O)CN1CCCC1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is MAIMCEHXCVMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-18-17(23)19-15(21)11-20-10-6-9-14(20)16(22)24-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,18,19,21,23).
What are the key properties of benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 56804335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).