2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride

C13H22ClN3O3 — CID 119777904

IUPAC2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H21N3O3.ClH/c17-11(9-14-8-10-2-3-10)15-6-1-7-16-12(18)4-5-13(16)19;/h10,14H,1-9H2,(H,15,17);1H
InChIKeyXZKKYJSWEHSNOC-UHFFFAOYSA-N
MW303.79 g/mol
LogP0.06
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride (PubChem CID 119777904) has the molecular formula C13H22ClN3O3 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
PubChem CID119777904
Molecular FormulaC13H22ClN3O3
Molecular Weight303.79 g/mol
Exact Mass303.13
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H21N3O3.ClH/c17-11(9-14-8-10-2-3-10)15-6-1-7-16-12(18)4-5-13(16)19;/h10,14H,1-9H2,(H,15,17);1H
InChIKeyXZKKYJSWEHSNOC-UHFFFAOYSA-N
XLogP0.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47021847
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 119809335
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide
CID 119763131
2-(cyclopropylmethylamino)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850882
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide
CID 136537997

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride (CID 119777904) is 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCCCN1C(=O)CCC1=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride?
The InChIKey is XZKKYJSWEHSNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3.ClH/c17-11(9-14-8-10-2-3-10)15-6-1-7-16-12(18)4-5-13(16)19;/h10,14H,1-9H2,(H,15,17);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119777904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).