(5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride

C19H31ClN6O6 — CID 175783361

IUPAC(5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
SMILESCC(C)(C)N(C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)O.Cl.NC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C12H19N3O4.C7H11N3O2.ClH/c1-11(2,3)15(10(18)19)6-12(7-4-5-7)8(16)13-9(17)14-12;8-3-7(4-1-2-4)5(11)9-6(12)10-7;/h7H,4-6H2,1-3H3,(H,18,19)(H2,13,14,16,17);4H,1-3,8H2,(H2,9,10,11,12);1H/t12-;7-;/m00./s1
InChIKeyMOZBVZOCFWCQDL-PWBFJKQBSA-N
MW474.95 g/mol
LogP0.11
Rot. Bonds5

About (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride

(5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride (PubChem CID 175783361) has the molecular formula C19H31ClN6O6 and a molecular weight of 474.95 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
PubChem CID175783361
Molecular FormulaC19H31ClN6O6
Molecular Weight474.95 g/mol
Exact Mass474.20
IUPAC Name(5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
SMILESCC(C)(C)N(C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)O.Cl.NC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C12H19N3O4.C7H11N3O2.ClH/c1-11(2,3)15(10(18)19)6-12(7-4-5-7)8(16)13-9(17)14-12;8-3-7(4-1-2-4)5(11)9-6(12)10-7;/h7H,4-6H2,1-3H3,(H,18,19)(H2,13,14,16,17);4H,1-3,8H2,(H2,9,10,11,12);1H/t12-;7-;/m00./s1
InChIKeyMOZBVZOCFWCQDL-PWBFJKQBSA-N
XLogP0.11
TPSA182.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 50.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
The IUPAC name of (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride (CID 175783361) is (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride.
What is the SMILES notation for (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
The canonical SMILES for (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride is CC(C)(C)N(C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)O.Cl.NC[C@@]1(C2CC2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
The InChIKey is MOZBVZOCFWCQDL-PWBFJKQBSA-N. The full InChI is InChI=1S/C12H19N3O4.C7H11N3O2.ClH/c1-11(2,3)15(10(18)19)6-12(7-4-5-7)8(16)13-9(17)14-12;8-3-7(4-1-2-4)5(11)9-6(12)10-7;/h7H,4-6H2,1-3H3,(H,18,19)(H2,13,14,16,17);4H,1-3,8H2,(H2,9,10,11,12);1H/t12-;7-;/m00./s1.
What are the key properties of (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
(5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride has a molecular weight of 474.95 g/mol, XLogP of 0.11, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride is sourced from PubChem (CID 175783361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).