(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid

C18H24N2O4 — CID 124626221

IUPAC(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
SMILESCC(C)N1C[C@H](C(=O)N[C@H](CCC(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C18H24N2O4/c1-12(2)20-11-14(10-16(20)21)18(24)19-15(8-9-17(22)23)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,24)(H,22,23)/t14-,15-/m1/s1
InChIKeyPVKITINDNNCALX-HUUCEWRRSA-N
MW332.40 g/mol
LogP1.97
Rot. Bonds7

About (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid

(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid (PubChem CID 124626221) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
PubChem CID124626221
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
SMILESCC(C)N1C[C@H](C(=O)N[C@H](CCC(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C18H24N2O4/c1-12(2)20-11-14(10-16(20)21)18(24)19-15(8-9-17(22)23)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,24)(H,22,23)/t14-,15-/m1/s1
InChIKeyPVKITINDNNCALX-HUUCEWRRSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626219
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201075
(3S)-3-(4-fluorophenyl)-3-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 124681537
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
CID 61153323
(3R)-3-(2-methylphenyl)-3-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 124682952
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
(4R)-4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 125150447
(4S)-4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 125150445
4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124691395
4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid?
The IUPAC name of (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid (CID 124626221) is (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid is CC(C)N1C[C@H](C(=O)N[C@H](CCC(=O)O)c2ccccc2)CC1=O.
What is the InChIKey of (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid?
The InChIKey is PVKITINDNNCALX-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)20-11-14(10-16(20)21)18(24)19-15(8-9-17(22)23)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,24)(H,22,23)/t14-,15-/m1/s1.
What are the key properties of (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid?
(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 124626221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).