(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

C19H23N3O4 — CID 140733985

IUPAC(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESC[C@@H](C1CCC1)C(C(N)=O)N1C(=O)NC2(C[C@H](O)c3ccccc32)C1=O
InChIInChI=1S/C19H23N3O4/c1-10(11-5-4-6-11)15(16(20)24)22-17(25)19(21-18(22)26)9-14(23)12-7-2-3-8-13(12)19/h2-3,7-8,10-11,14-15,23H,4-6,9H2,1H3,(H2,20,24)(H,21,26)/t10-,14-,15?,19?/m0/s1
InChIKeyVMCQHDSBIHOQKV-HMQUJUMKSA-N
MW357.41 g/mol
LogP1.16
Rot. Bonds4

About (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (PubChem CID 140733985) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.

Molecular Properties

Compound Name(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
PubChem CID140733985
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESC[C@@H](C1CCC1)C(C(N)=O)N1C(=O)NC2(C[C@H](O)c3ccccc32)C1=O
InChIInChI=1S/C19H23N3O4/c1-10(11-5-4-6-11)15(16(20)24)22-17(25)19(21-18(22)26)9-14(23)12-7-2-3-8-13(12)19/h2-3,7-8,10-11,14-15,23H,4-6,9H2,1H3,(H2,20,24)(H,21,26)/t10-,14-,15?,19?/m0/s1
InChIKeyVMCQHDSBIHOQKV-HMQUJUMKSA-N
XLogP1.16
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140734053
(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140734030
(1S,3R)-1-hydroxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 129362406
N-[(4-fluorophenyl)methyl]-2-(1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118956864
(3S)-3-cyclopropyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140734054
N-[(1S)-1-cyclobutylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-3-(1-methyltriazol-4-yl)propanamide
CID 118958707
N-[(1S)-1-cyclobutylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-3-(3-methylphenyl)propanamide
CID 118957698
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
3'-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 119595087
N-[(1S)-1-cyclobutylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-phenylethyl)acetamide
CID 118957812
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4878980

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The IUPAC name of (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (CID 140733985) is (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.
What is the SMILES notation for (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The canonical SMILES for (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is C[C@@H](C1CCC1)C(C(N)=O)N1C(=O)NC2(C[C@H](O)c3ccccc32)C1=O.
What is the InChIKey of (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The InChIKey is VMCQHDSBIHOQKV-HMQUJUMKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-10(11-5-4-6-11)15(16(20)24)22-17(25)19(21-18(22)26)9-14(23)12-7-2-3-8-13(12)19/h2-3,7-8,10-11,14-15,23H,4-6,9H2,1H3,(H2,20,24)(H,21,26)/t10-,14-,15?,19?/m0/s1.
What are the key properties of (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide has a molecular weight of 357.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is sourced from PubChem (CID 140733985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).