ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate

C17H21N3O5 — CID 29136225

IUPACethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
SMILESCCOC(=O)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H21N3O5/c1-2-25-17(24)16(23)19-9-8-18-15(22)12-10-14(21)20(11-12)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,18,22)(H,19,23)/t12-/m1/s1
InChIKeyMCUGHSPEZHDDSS-GFCCVEGCSA-N
MW347.37 g/mol
LogP-0.17
Rot. Bonds6

About ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate

ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate (PubChem CID 29136225) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
PubChem CID29136225
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Nameethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
SMILESCCOC(=O)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H21N3O5/c1-2-25-17(24)16(23)19-9-8-18-15(22)12-10-14(21)20(11-12)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,18,22)(H,19,23)/t12-/m1/s1
InChIKeyMCUGHSPEZHDDSS-GFCCVEGCSA-N
XLogP-0.17
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110421652
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
(3R)-N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29132221
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 100904838

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate?
The IUPAC name of ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate (CID 29136225) is ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate is CCOC(=O)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate?
The InChIKey is MCUGHSPEZHDDSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-2-25-17(24)16(23)19-9-8-18-15(22)12-10-14(21)20(11-12)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,18,22)(H,19,23)/t12-/m1/s1.
What are the key properties of ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate?
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate has a molecular weight of 347.37 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate is sourced from PubChem (CID 29136225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).