(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide

C14H17N3O3 — CID 61174389

IUPAC(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H17N3O3/c1-3-7(2)11(15)14(20)16-8-4-5-9-10(6-8)13(19)17-12(9)18/h4-7,11H,3,15H2,1-2H3,(H,16,20)(H,17,18,19)/t7?,11-/m0/s1
InChIKeyRQBFDLMXFNOCHA-QRIDDKLISA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds4

About (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide

(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide (PubChem CID 61174389) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide
PubChem CID61174389
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H17N3O3/c1-3-7(2)11(15)14(20)16-8-4-5-9-10(6-8)13(19)17-12(9)18/h4-7,11H,3,15H2,1-2H3,(H,16,20)(H,17,18,19)/t7?,11-/m0/s1
InChIKeyRQBFDLMXFNOCHA-QRIDDKLISA-N
XLogP0.88
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
CID 19736343
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
CID 81072000
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
CID 113314970
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide (CID 61174389) is (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide?
The InChIKey is RQBFDLMXFNOCHA-QRIDDKLISA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-7(2)11(15)14(20)16-8-4-5-9-10(6-8)13(19)17-12(9)18/h4-7,11H,3,15H2,1-2H3,(H,16,20)(H,17,18,19)/t7?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide?
(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide has a molecular weight of 275.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide is sourced from PubChem (CID 61174389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).