(2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid

C19H31N3O5 — CID 119361187

IUPAC(2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O)C(=O)O
InChIInChI=1S/C19H31N3O5/c1-11(2)6-13(15(24)25)20-14(23)9-22-16(26)19(21-17(22)27)8-12(3)7-18(4,5)10-19/h11-13H,6-10H2,1-5H3,(H,20,23)(H,21,27)(H,24,25)/t12?,13-,19?/m0/s1
InChIKeyHENYHFWDUFURNN-MLZJXEJWSA-N
MW381.47 g/mol
LogP1.74
Rot. Bonds6

About (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid (PubChem CID 119361187) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
PubChem CID119361187
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Name(2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O)C(=O)O
InChIInChI=1S/C19H31N3O5/c1-11(2)6-13(15(24)25)20-14(23)9-22-16(26)19(21-17(22)27)8-12(3)7-18(4,5)10-19/h11-13H,6-10H2,1-5H3,(H,20,23)(H,21,27)(H,24,25)/t12?,13-,19?/m0/s1
InChIKeyHENYHFWDUFURNN-MLZJXEJWSA-N
XLogP1.74
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 51.74
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

N-(1-amino-4-methylpentan-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119587792
N-pentan-3-yl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41012688
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43241577
N-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 98785312
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 98785310
N-(3,5-dimethylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7960983
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(2-methylsulfanylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 102554226
[(1S)-1-cyanoethyl] 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651944
N-[(2R)-2-(ethylamino)propyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 120651150

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid (CID 119361187) is (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is HENYHFWDUFURNN-MLZJXEJWSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-11(2)6-13(15(24)25)20-14(23)9-22-16(26)19(21-17(22)27)8-12(3)7-18(4,5)10-19/h11-13H,6-10H2,1-5H3,(H,20,23)(H,21,27)(H,24,25)/t12?,13-,19?/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 381.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119361187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).