N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride

C14H21ClN4O4 — CID 119605201

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NC2CCCC2CN)C1=O.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-2-6-17-12(20)13(21)18(14(17)22)8-11(19)16-10-5-3-4-9(10)7-15;/h2,9-10H,1,3-8,15H2,(H,16,19);1H
InChIKeySUNDJJWOZWADAI-UHFFFAOYSA-N
MW344.80 g/mol
LogP-0.37
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119605201) has the molecular formula C14H21ClN4O4 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119605201
Molecular FormulaC14H21ClN4O4
Molecular Weight344.80 g/mol
Exact Mass344.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NC2CCCC2CN)C1=O.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-2-6-17-12(20)13(21)18(14(17)22)8-11(19)16-10-5-3-4-9(10)7-15;/h2,9-10H,1,3-8,15H2,(H,16,19);1H
InChIKeySUNDJJWOZWADAI-UHFFFAOYSA-N
XLogP-0.37
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119610019
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
CID 119575938
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
CID 119469746
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119609686
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51101004
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119611543
N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119609714
N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119601957
N-[(2S)-3,3-dimethylbutan-2-yl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 95328464

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride (CID 119605201) is N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride is C=CCN1C(=O)C(=O)N(CC(=O)NC2CCCC2CN)C1=O.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is SUNDJJWOZWADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4.ClH/c1-2-6-17-12(20)13(21)18(14(17)22)8-11(19)16-10-5-3-4-9(10)7-15;/h2,9-10H,1,3-8,15H2,(H,16,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119605201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).