2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid

C16H23N3O5 — CID 122067050

IUPAC2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1CC1
InChIInChI=1S/C16H23N3O5/c1-10(13(21)22)19(11-4-5-11)12(20)6-9-18-14(23)16(17-15(18)24)7-2-3-8-16/h10-11H,2-9H2,1H3,(H,17,24)(H,21,22)
InChIKeyBTPDWRCGWNUJMK-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.71
Rot. Bonds6

About 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid

2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid (PubChem CID 122067050) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid
PubChem CID122067050
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1CC1
InChIInChI=1S/C16H23N3O5/c1-10(13(21)22)19(11-4-5-11)12(20)6-9-18-14(23)16(17-15(18)24)7-2-3-8-16/h10-11H,2-9H2,1H3,(H,17,24)(H,21,22)
InChIKeyBTPDWRCGWNUJMK-UHFFFAOYSA-N
XLogP0.71
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.71
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-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylpropanamide
CID 30100026
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
CID 26663131
N-cyclopropyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 55594132
2-[cyclopropyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 122067032
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9476594
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
CID 30750351
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(1-methylpiperidin-4-yl)butanamide
CID 46978915
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 134020262
N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 34578471
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46632464
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114279

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid (CID 122067050) is 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid?
The InChIKey is BTPDWRCGWNUJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10(13(21)22)19(11-4-5-11)12(20)6-9-18-14(23)16(17-15(18)24)7-2-3-8-16/h10-11H,2-9H2,1H3,(H,17,24)(H,21,22).
What are the key properties of 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid?
2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid has a molecular weight of 337.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 122067050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).