2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid

C19H24N2O4 — CID 75383641

IUPAC2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(Cc1ccccc1)(NC(=O)C1CC(=O)N(CC2CC2)C1)C(=O)O
InChIInChI=1S/C19H24N2O4/c1-19(18(24)25,10-13-5-3-2-4-6-13)20-17(23)15-9-16(22)21(12-15)11-14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,20,23)(H,24,25)
InChIKeyACKLVMFRNQVLFR-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.45
Rot. Bonds7

About 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid

2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 75383641) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID75383641
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(Cc1ccccc1)(NC(=O)C1CC(=O)N(CC2CC2)C1)C(=O)O
InChIInChI=1S/C19H24N2O4/c1-19(18(24)25,10-13-5-3-2-4-6-13)20-17(23)15-9-16(22)21(12-15)11-14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,20,23)(H,24,25)
InChIKeyACKLVMFRNQVLFR-UHFFFAOYSA-N
XLogP1.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97185645
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
3-[[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 97077053
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 104630050
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
methyl 2-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 51881440
methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
CID 43074328
N-(2-methylbutan-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53497922
(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 100901057
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 124682956

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid (CID 75383641) is 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid is CC(Cc1ccccc1)(NC(=O)C1CC(=O)N(CC2CC2)C1)C(=O)O.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is ACKLVMFRNQVLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(18(24)25,10-13-5-3-2-4-6-13)20-17(23)15-9-16(22)21(12-15)11-14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 344.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 75383641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).