1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide

C13H25N3O2 — CID 60953275

IUPAC1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CCCCCCN
InChIInChI=1S/C13H25N3O2/c1-15-13(18)11-7-6-10-16(11)12(17)8-4-2-3-5-9-14/h11H,2-10,14H2,1H3,(H,15,18)
InChIKeyFYTAORRITLKGMK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.63
Rot. Bonds7

About 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide

1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 60953275) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID60953275
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CCCCCCN
InChIInChI=1S/C13H25N3O2/c1-15-13(18)11-7-6-10-16(11)12(17)8-4-2-3-5-9-14/h11H,2-10,14H2,1H3,(H,15,18)
InChIKeyFYTAORRITLKGMK-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide (CID 60953275) is 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CCCCCCN.
What is the InChIKey of 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is FYTAORRITLKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15-13(18)11-7-6-10-16(11)12(17)8-4-2-3-5-9-14/h11H,2-10,14H2,1H3,(H,15,18).
What are the key properties of 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide?
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60953275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).