(2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide

C15H25N3O4 — CID 159697583

IUPAC(2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide
SMILESCNC(=O)C1CC[C@@H](C(=O)NC)N1C(=O)CCCCC(C)=O
InChIInChI=1S/C15H25N3O4/c1-10(19)6-4-5-7-13(20)18-11(14(21)16-2)8-9-12(18)15(22)17-3/h11-12H,4-9H2,1-3H3,(H,16,21)(H,17,22)/t11-,12?/m0/s1
InChIKeyKQKPRYULHORBGN-PXYINDEMSA-N
MW311.38 g/mol
LogP-0.01
Rot. Bonds7

About (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide

(2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide (PubChem CID 159697583) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide
PubChem CID159697583
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide
SMILESCNC(=O)C1CC[C@@H](C(=O)NC)N1C(=O)CCCCC(C)=O
InChIInChI=1S/C15H25N3O4/c1-10(19)6-4-5-7-13(20)18-11(14(21)16-2)8-9-12(18)15(22)17-3/h11-12H,4-9H2,1-3H3,(H,16,21)(H,17,22)/t11-,12?/m0/s1
InChIKeyKQKPRYULHORBGN-PXYINDEMSA-N
XLogP-0.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
(2S,5S)-1-(6-oxoheptanoyl)-2-N,5-N-bis[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]pyrrolidine-2,5-dicarboxamide
CID 122522423
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
ethane;5-methylhexan-2-one;(2S)-N-methyl-1-pentanoylpyrrolidine-2-carboxamide
CID 156846202
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one
CID 164535566
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide?
The IUPAC name of (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide (CID 159697583) is (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide.
What is the SMILES notation for (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide?
The canonical SMILES for (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide is CNC(=O)C1CC[C@@H](C(=O)NC)N1C(=O)CCCCC(C)=O.
What is the InChIKey of (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide?
The InChIKey is KQKPRYULHORBGN-PXYINDEMSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-10(19)6-4-5-7-13(20)18-11(14(21)16-2)8-9-12(18)15(22)17-3/h11-12H,4-9H2,1-3H3,(H,16,21)(H,17,22)/t11-,12?/m0/s1.
What are the key properties of (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide?
(2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide has a molecular weight of 311.38 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,5-N-dimethyl-1-(6-oxoheptanoyl)pyrrolidine-2,5-dicarboxamide is sourced from PubChem (CID 159697583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).