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

C14H17N3O3 — CID 45267008

IUPAC(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H17N3O3/c1-2-3-4-11(15)14(20)16-8-5-6-9-10(7-8)13(19)17-12(9)18/h5-7,11H,2-4,15H2,1H3,(H,16,20)(H,17,18,19)/t11-/m0/s1
InChIKeyRFDSMRVWJGNISA-NSHDSACASA-N
MW275.31 g/mol
LogP1.03
Rot. Bonds5

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

(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide (PubChem CID 45267008) 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)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide
PubChem CID45267008
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H17N3O3/c1-2-3-4-11(15)14(20)16-8-5-6-9-10(7-8)13(19)17-12(9)18/h5-7,11H,2-4,15H2,1H3,(H,16,20)(H,17,18,19)/t11-/m0/s1
InChIKeyRFDSMRVWJGNISA-NSHDSACASA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide (CID 45267008) is (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide is CCCC[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)hexanamide?
The InChIKey is RFDSMRVWJGNISA-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-3-4-11(15)14(20)16-8-5-6-9-10(7-8)13(19)17-12(9)18/h5-7,11H,2-4,15H2,1H3,(H,16,20)(H,17,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide?
(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)hexanamide has a molecular weight of 275.31 g/mol, XLogP of 1.03, 5 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)hexanamide is sourced from PubChem (CID 45267008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).