N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

C14H26ClN3O2 — CID 119619815

IUPACN-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C1CCC(C(=O)NCCNC2CCCCCC2)N1
InChIInChI=1S/C14H25N3O2.ClH/c18-13-8-7-12(17-13)14(19)16-10-9-15-11-5-3-1-2-4-6-11;/h11-12,15H,1-10H2,(H,16,19)(H,17,18);1H
InChIKeyRNNFSMYUNQMEAO-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119619815) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID119619815
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC NameN-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C1CCC(C(=O)NCCNC2CCCCCC2)N1
InChIInChI=1S/C14H25N3O2.ClH/c18-13-8-7-12(17-13)14(19)16-10-9-15-11-5-3-1-2-4-6-11;/h11-12,15H,1-10H2,(H,16,19)(H,17,18);1H
InChIKeyRNNFSMYUNQMEAO-UHFFFAOYSA-N
XLogP1.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 104593841

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 119619815) is N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is Cl.O=C1CCC(C(=O)NCCNC2CCCCCC2)N1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RNNFSMYUNQMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c18-13-8-7-12(17-13)14(19)16-10-9-15-11-5-3-1-2-4-6-11;/h11-12,15H,1-10H2,(H,16,19)(H,17,18);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119619815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).