(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

C18H18N2O5 — CID 124701749

IUPAC(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H18N2O5/c21-15-9-13(10-20(15)11-14-7-4-8-25-14)17(22)19-16(18(23)24)12-5-2-1-3-6-12/h1-8,13,16H,9-11H2,(H,19,22)(H,23,24)/t13-,16+/m1/s1
InChIKeyPRGZYIMGHAZIAP-CJNGLKHVSA-N
MW342.35 g/mol
LogP1.57
Rot. Bonds6

About (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 124701749) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID124701749
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C18H18N2O5/c21-15-9-13(10-20(15)11-14-7-4-8-25-14)17(22)19-16(18(23)24)12-5-2-1-3-6-12/h1-8,13,16H,9-11H2,(H,19,22)(H,23,24)/t13-,16+/m1/s1
InChIKeyPRGZYIMGHAZIAP-CJNGLKHVSA-N
XLogP1.57
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3R)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124694017
2-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119197288
(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451
N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75807379
1-(furan-2-ylmethyl)-5-oxo-N'-[(E)-3-phenylprop-2-enoyl]pyrrolidine-3-carbohydrazide
CID 17232588
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
(3R)-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97235350
N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75429899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (CID 124701749) is (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is PRGZYIMGHAZIAP-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-15-9-13(10-20(15)11-14-7-4-8-25-14)17(22)19-16(18(23)24)12-5-2-1-3-6-12/h1-8,13,16H,9-11H2,(H,19,22)(H,23,24)/t13-,16+/m1/s1.
What are the key properties of (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 342.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 124701749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).