(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid

C17H20N2O5 — CID 119364791

IUPAC(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](CC(C)C)C(=O)O)C2=O
InChIInChI=1S/C17H20N2O5/c1-9(2)6-13(17(23)24)18-14(20)8-19-15(21)11-5-4-10(3)7-12(11)16(19)22/h4-5,7,9,13H,6,8H2,1-3H3,(H,18,20)(H,23,24)/t13-/m1/s1
InChIKeyGYFJBPXAWCLJPM-CYBMUJFWSA-N
MW332.36 g/mol
LogP1.21
Rot. Bonds6

About (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid

(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid (PubChem CID 119364791) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
PubChem CID119364791
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](CC(C)C)C(=O)O)C2=O
InChIInChI=1S/C17H20N2O5/c1-9(2)6-13(17(23)24)18-14(20)8-19-15(21)11-5-4-10(3)7-12(11)16(19)22/h4-5,7,9,13H,6,8H2,1-3H3,(H,18,20)(H,23,24)/t13-/m1/s1
InChIKeyGYFJBPXAWCLJPM-CYBMUJFWSA-N
XLogP1.21
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 119188059
(2S)-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]hexanoic acid
CID 120614308
(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364341
methyl (2R)-2-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoate
CID 8849399
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119589977
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
(2R)-4-amino-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-oxobutanoic acid
CID 95048788
4-methyl-2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]pentanoic acid
CID 120679225
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 26444764
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid (CID 119364791) is (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid is Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](CC(C)C)C(=O)O)C2=O.
What is the InChIKey of (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
The InChIKey is GYFJBPXAWCLJPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-9(2)6-13(17(23)24)18-14(20)8-19-15(21)11-5-4-10(3)7-12(11)16(19)22/h4-5,7,9,13H,6,8H2,1-3H3,(H,18,20)(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119364791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).