N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C15H19N3O3 — CID 120509037

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N[C@@H](C)CN)C2=O
InChIInChI=1S/C15H19N3O3/c1-8-4-5-11-12(6-8)15(21)18(14(11)20)10(3)13(19)17-9(2)7-16/h4-6,9-10H,7,16H2,1-3H3,(H,17,19)/t9-,10?/m0/s1
InChIKeyHHTFXMMKBMTEET-RGURZIINSA-N
MW289.34 g/mol
LogP0.44
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 120509037) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID120509037
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N[C@@H](C)CN)C2=O
InChIInChI=1S/C15H19N3O3/c1-8-4-5-11-12(6-8)15(21)18(14(11)20)10(3)13(19)17-9(2)7-16/h4-6,9-10H,7,16H2,1-3H3,(H,17,19)/t9-,10?/m0/s1
InChIKeyHHTFXMMKBMTEET-RGURZIINSA-N
XLogP0.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.44
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

N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119995908
N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119666526
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119528388
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816747
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120944416
2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
CID 119346595
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535468
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46527236
2-(2-methylphenoxy)ethyl 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816513

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 120509037) is N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)N[C@@H](C)CN)C2=O.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is HHTFXMMKBMTEET-RGURZIINSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-8-4-5-11-12(6-8)15(21)18(14(11)20)10(3)13(19)17-9(2)7-16/h4-6,9-10H,7,16H2,1-3H3,(H,17,19)/t9-,10?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 120509037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).