3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

About 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 119484507) has the molecular formula C20H35ClN4O3 and a molecular weight of 414.98 g/mol. Its IUPAC name is 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name	3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID	119484507
Molecular Formula	C20H35ClN4O3
Molecular Weight	414.98 g/mol
Exact Mass	414.24
IUPAC Name	3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILES	CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(CN)C1)C2=O.Cl
InChI	InChI=1S/C20H34N4O3.ClH/c1-4-19(2,3)15-5-8-20(9-6-15)17(26)24(18(27)22-20)13-16(25)23-10-7-14(11-21)12-23;/h14-15H,4-13,21H2,1-3H3,(H,22,27);1H
InChIKey	PINBXCMOJCTCKO-UHFFFAOYSA-N
XLogP	2.13
TPSA	95.74 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.98
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The IUPAC name of 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 119484507) is 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

What is the SMILES notation for 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The canonical SMILES for 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(CN)C1)C2=O.Cl.

What is the InChIKey of 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The InChIKey is PINBXCMOJCTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3.ClH/c1-4-19(2,3)15-5-8-20(9-6-15)17(26)24(18(27)22-20)13-16(25)23-10-7-14(11-21)12-23;/h14-15H,4-13,21H2,1-3H3,(H,22,27);1H.

What are the key properties of 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 119484507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).