2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid

C15H18N2O4 — CID 43619383

IUPAC2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCN1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-3-8-15(2,14(20)21)16-9-17-12(18)10-6-4-5-7-11(10)13(17)19/h4-7,16H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyFPPRVVXRSUHKDR-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.47
Rot. Bonds6

About 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid

2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid (PubChem CID 43619383) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid
PubChem CID43619383
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCN1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-3-8-15(2,14(20)21)16-9-17-12(18)10-6-4-5-7-11(10)13(17)19/h4-7,16H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyFPPRVVXRSUHKDR-UHFFFAOYSA-N
XLogP1.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-2-methylpentanoic acid
CID 60992039
2-methyl-2-(3-phenylprop-2-ynylamino)pentanoic acid
CID 62338853
3-[(1,3-dioxoisoindol-2-yl)methyl]-1,1-dipropylurea
CID 19258991
2-(1,3-dioxoisoindol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 9017592
2-(4-methylheptan-4-yl)isoindole-1,3-dione
CID 163719982
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-ethoxycarbonyl-2-methylbutanoic acid
CID 71517830
3-[(1,3-dioxoisoindol-2-yl)methyl]-1,1-diethylurea
CID 19258990
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
2-[(4-propanoylanilino)methyl]isoindole-1,3-dione
CID 134086677
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide
CID 12678095
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid (CID 43619383) is 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCN1C(=O)c2ccccc2C1=O)C(=O)O.
What is the InChIKey of 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid?
The InChIKey is FPPRVVXRSUHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-8-15(2,14(20)21)16-9-17-12(18)10-6-4-5-7-11(10)13(17)19/h4-7,16H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid?
2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoisoindol-2-yl)methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).