(2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid

C14H16N2O5 — CID 135722638

IUPAC(2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid
SMILESCNc1ccc2c(c1)CN([C@H](CCC(=O)O)C(=O)O)C2=O
InChIInChI=1S/C14H16N2O5/c1-15-9-2-3-10-8(6-9)7-16(13(10)19)11(14(20)21)4-5-12(17)18/h2-3,6,11,15H,4-5,7H2,1H3,(H,17,18)(H,20,21)/t11-/m1/s1
InChIKeyZQJOECVPKZLSLT-LLVKDONJSA-N
MW292.29 g/mol
LogP1.00
Rot. Bonds6

About (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid

(2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid (PubChem CID 135722638) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid
PubChem CID135722638
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid
SMILESCNc1ccc2c(c1)CN([C@H](CCC(=O)O)C(=O)O)C2=O
InChIInChI=1S/C14H16N2O5/c1-15-9-2-3-10-8(6-9)7-16(13(10)19)11(14(20)21)4-5-12(17)18/h2-3,6,11,15H,4-5,7H2,1H3,(H,17,18)(H,20,21)/t11-/m1/s1
InChIKeyZQJOECVPKZLSLT-LLVKDONJSA-N
XLogP1.00
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[6-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid
CID 135773438
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
(2S)-2-[6-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-3-oxo-1H-isoindol-2-yl]pentanedioic acid
CID 135529967
methyl 5-amino-5-oxo-4-(3-oxo-6-phenyl-1H-isoindol-2-yl)pentanoate
CID 170631434
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
CID 170119033
(4S)-5-amino-4-[6-[6-(dimethoxymethyl)-2-azaspiro[3.3]heptan-2-yl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 174224657
(4S)-5-amino-4-[6-[6-amino-3-cyano-5-(trifluoromethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 170171332
5-amino-4-[6-[2-[methyl-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]amino]acetyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 174233010
5-amino-4-[6-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 174232998
N-[2-(2-cyclobutylidene-6-oxooctan-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methylbenzamide
CID 170731896

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid?
The IUPAC name of (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid (CID 135722638) is (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid.
What is the SMILES notation for (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid?
The canonical SMILES for (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid is CNc1ccc2c(c1)CN([C@H](CCC(=O)O)C(=O)O)C2=O.
What is the InChIKey of (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid?
The InChIKey is ZQJOECVPKZLSLT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-15-9-2-3-10-8(6-9)7-16(13(10)19)11(14(20)21)4-5-12(17)18/h2-3,6,11,15H,4-5,7H2,1H3,(H,17,18)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid?
(2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid has a molecular weight of 292.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-(methylamino)-3-oxo-1H-isoindol-2-yl]pentanedioic acid is sourced from PubChem (CID 135722638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).