2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid

C19H24N2O5 — CID 125133832

IUPAC2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O
InChIInChI=1S/C19H24N2O5/c1-13(14-5-3-2-4-6-14)21-11-15(9-17(21)22)19(25)20-7-8-26-16(12-20)10-18(23)24/h2-6,13,15-16H,7-12H2,1H3,(H,23,24)/t13-,15+,16-/m1/s1
InChIKeyMWQBFVKKIOHRJN-VNQPRFMTSA-N
MW360.41 g/mol
LogP1.30
Rot. Bonds5

About 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125133832) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125133832
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESC[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O
InChIInChI=1S/C19H24N2O5/c1-13(14-5-3-2-4-6-14)21-11-15(9-17(21)22)19(25)20-7-8-26-16(12-20)10-18(23)24/h2-6,13,15-16H,7-12H2,1H3,(H,23,24)/t13-,15+,16-/m1/s1
InChIKeyMWQBFVKKIOHRJN-VNQPRFMTSA-N
XLogP1.30
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119538330
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 119634812
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562
(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247970
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119592627
2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383
2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid (CID 125133832) is 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid is C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O.
What is the InChIKey of 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is MWQBFVKKIOHRJN-VNQPRFMTSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13(14-5-3-2-4-6-14)21-11-15(9-17(21)22)19(25)20-7-8-26-16(12-20)10-18(23)24/h2-6,13,15-16H,7-12H2,1H3,(H,23,24)/t13-,15+,16-/m1/s1.
What are the key properties of 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125133832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).