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

C17H27N3O5 — CID 119361468

IUPAC(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)O
InChIInChI=1S/C17H27N3O5/c1-11(2)9-12(14(22)23)18-13(21)10-20-15(24)17(19(3)16(20)25)7-5-4-6-8-17/h11-12H,4-10H2,1-3H3,(H,18,21)(H,22,23)/t12-/m0/s1
InChIKeySKXPNFZUBGQVRB-LBPRGKRZSA-N
MW353.42 g/mol
LogP1.20
Rot. Bonds6

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

(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid (PubChem CID 119361468) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
PubChem CID119361468
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)O
InChIInChI=1S/C17H27N3O5/c1-11(2)9-12(14(22)23)18-13(21)10-20-15(24)17(19(3)16(20)25)7-5-4-6-8-17/h11-12H,4-10H2,1-3H3,(H,18,21)(H,22,23)/t12-/m0/s1
InChIKeySKXPNFZUBGQVRB-LBPRGKRZSA-N
XLogP1.20
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 42990491
N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850189
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367108
N-[1-(2-bromophenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24544712
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119599497
N-[1-(2-methoxyphenyl)ethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24544895
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 40713780
4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
CID 119352697
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43241577

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid (CID 119361468) is (2S)-4-methyl-2-[[2-(1-methyl-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-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-(1-methyl-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)N(C)C2(CCCCC2)C1=O)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is SKXPNFZUBGQVRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-11(2)9-12(14(22)23)18-13(21)10-20-15(24)17(19(3)16(20)25)7-5-4-6-8-17/h11-12H,4-10H2,1-3H3,(H,18,21)(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 353.42 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119361468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).