(2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione

C15H28N2O2 — CID 59576434

IUPAC(2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione
SMILESCCC(=O)CCCCC[C@H](N)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C15H28N2O2/c1-3-13(18)9-5-4-6-10-14(16)15(19)17-11-7-8-12(17)2/h12,14H,3-11,16H2,1-2H3/t12-,14+/m1/s1
InChIKeyJULXIBAAFXXOGT-OCCSQVGLSA-N
MW268.40 g/mol
LogP2.25
Rot. Bonds8

About (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione

(2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione (PubChem CID 59576434) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione
PubChem CID59576434
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione
SMILESCCC(=O)CCCCC[C@H](N)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C15H28N2O2/c1-3-13(18)9-5-4-6-10-14(16)15(19)17-11-7-8-12(17)2/h12,14H,3-11,16H2,1-2H3/t12-,14+/m1/s1
InChIKeyJULXIBAAFXXOGT-OCCSQVGLSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
(2R)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid
CID 67280679
(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 139553940
(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylic acid;hydrobromide
CID 131697995
(3S)-3-aminoundecane-2,9-dione
CID 148839673
(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 11736661
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 11218768
(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 70548468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione?
The IUPAC name of (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione (CID 59576434) is (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione.
What is the SMILES notation for (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione?
The canonical SMILES for (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione is CCC(=O)CCCCC[C@H](N)C(=O)N1CCC[C@H]1C.
What is the InChIKey of (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione?
The InChIKey is JULXIBAAFXXOGT-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-13(18)9-5-4-6-10-14(16)15(19)17-11-7-8-12(17)2/h12,14H,3-11,16H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione?
(2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione has a molecular weight of 268.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione is sourced from PubChem (CID 59576434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).