7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium

C19H38N3O5+ — CID 142081037

IUPAC7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCCC[NH3+]
InChIInChI=1S/C19H37N3O5/c1-25-12-13-26-14-15-27-16-18(23)22-11-7-8-17(22)19(24)21-10-6-4-2-3-5-9-20/h17H,2-16,20H2,1H3,(H,21,24)/p+1
InChIKeySYDDRBDLQHVNSR-UHFFFAOYSA-O
MW388.53 g/mol
LogP-0.03
Rot. Bonds16

About 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium

7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium (PubChem CID 142081037) has the molecular formula C19H38N3O5+ and a molecular weight of 388.53 g/mol. Its IUPAC name is 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium.

Molecular Properties

Compound Name7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium
PubChem CID142081037
Molecular FormulaC19H38N3O5+
Molecular Weight388.53 g/mol
Exact Mass388.28
IUPAC Name7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCCC[NH3+]
InChIInChI=1S/C19H37N3O5/c1-25-12-13-26-14-15-27-16-18(23)22-11-7-8-17(22)19(24)21-10-6-4-2-3-5-9-20/h17H,2-16,20H2,1H3,(H,21,24)/p+1
InChIKeySYDDRBDLQHVNSR-UHFFFAOYSA-O
XLogP-0.03
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
6-[[1-[2-(3-methoxypropylsulfanyl)acetyl]pyrrolidine-2-carbonyl]amino]hexoxy-methylphosphinic acid
CID 157294015
1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide
CID 135214600
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-(cyclopropanecarbonyl)-N-[3-(2-hydroxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 106305764

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium?
The IUPAC name of 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium (CID 142081037) is 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium.
What is the SMILES notation for 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium?
The canonical SMILES for 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium is COCCOCCOCC(=O)N1CCCC1C(=O)NCCCCCCC[NH3+].
What is the InChIKey of 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium?
The InChIKey is SYDDRBDLQHVNSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H37N3O5/c1-25-12-13-26-14-15-27-16-18(23)22-11-7-8-17(22)19(24)21-10-6-4-2-3-5-9-20/h17H,2-16,20H2,1H3,(H,21,24)/p+1.
What are the key properties of 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium?
7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium has a molecular weight of 388.53 g/mol, XLogP of -0.03, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carbonyl]amino]heptylazanium is sourced from PubChem (CID 142081037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).