2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid

C17H22N2O5 — CID 14183659

IUPAC2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid
SMILESCC1(NC(CCc2ccccc2)C(=O)O)CCN(CC(=O)O)C1=O
InChIInChI=1S/C17H22N2O5/c1-17(9-10-19(16(17)24)11-14(20)21)18-13(15(22)23)8-7-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,20,21)(H,22,23)
InChIKeyRLHZFACJQDIDRM-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.74
Rot. Bonds8

About 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid

2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid (PubChem CID 14183659) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid
PubChem CID14183659
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid
SMILESCC1(NC(CCc2ccccc2)C(=O)O)CCN(CC(=O)O)C1=O
InChIInChI=1S/C17H22N2O5/c1-17(9-10-19(16(17)24)11-14(20)21)18-13(15(22)23)8-7-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,20,21)(H,22,23)
InChIKeyRLHZFACJQDIDRM-UHFFFAOYSA-N
XLogP0.74
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(carboxymethyl)-2-oxoazocan-3-yl]amino]-4-phenylbutanoic acid
CID 23322524
2-[[1-(2-carboxyethyl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid
CID 70547240
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 104983323
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-2-[[4-(carboxymethyl)-3-methyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid
CID 67868603
(2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid;hydrochloride
CID 13243516
4-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-3-ethylthiomorpholine-3-carboxylic acid
CID 70458977
(2S)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-4-phenylbutanoic acid
CID 104983619
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
(2S)-2-[[1-(carboxymethyl)-2-oxo-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-3-yl]amino]-4-phenylbutanoic acid
CID 67865885
(2R)-2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid
CID 13375127
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid?
The IUPAC name of 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid (CID 14183659) is 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid is CC1(NC(CCc2ccccc2)C(=O)O)CCN(CC(=O)O)C1=O.
What is the InChIKey of 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid?
The InChIKey is RLHZFACJQDIDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(9-10-19(16(17)24)11-14(20)21)18-13(15(22)23)8-7-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid?
2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid has a molecular weight of 334.37 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(carboxymethyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 14183659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).