8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H25N3O4 — CID 72938150

IUPAC8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccccc1CNC(=O)CN1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C19H25N3O4/c1-13-4-2-3-5-14(13)11-20-17(24)12-22-8-6-19(7-9-22)15(18(25)26)10-16(23)21-19/h2-5,15H,6-12H2,1H3,(H,20,24)(H,21,23)(H,25,26)
InChIKeyJENYWVITRLFZOZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.67
Rot. Bonds5

About 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72938150) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72938150
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccccc1CNC(=O)CN1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C19H25N3O4/c1-13-4-2-3-5-14(13)11-20-17(24)12-22-8-6-19(7-9-22)15(18(25)26)10-16(23)21-19/h2-5,15H,6-12H2,1H3,(H,20,24)(H,21,23)(H,25,26)
InChIKeyJENYWVITRLFZOZ-UHFFFAOYSA-N
XLogP0.67
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

N-{[(2s,5s)-1-Benzyl-5-(2-{[(2s,3s)-1-(Tert-Butylamino)-3-Methyl-1-Oxopentan-2-Yl]amino}-2-Oxoethyl)-3,6-Dioxopiperazin-2-Yl]methyl}-L-Alpha-Asparagine
CID 101913264
(2S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 11876670
Suc-Asp-Glu-Phe(2-Me)-Phg-Leu-Nle-CONH2
CID 44372705
(4S)-4-[[(2S)-3-carboxy-2-(3-carboxypropanoylamino)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1,2-dioxo-1-[[(1S)-1-phenylpropyl]amino]heptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 44372824
(2S)-4-amino-4-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoic acid
CID 44613333
Ac-D-d-I-V-P-Nva-CONHBn
CID 483674
2-(1-(2-Methylbenzyl)-3-oxopiperazin-2-yl)acetic acid
CID 2990297
H-Asn-Tic-Asn-OH
CID 46233081
H-Asp-Tic-Asp-OH
CID 46233121
(3S)-3-acetamido-4-[[(2R)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-(benzylamino)-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73345448
(3S)-3-acetamido-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-(benzylamino)-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73351555
(2S)-2-amino-5-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-5-oxopentanoic acid
CID 122177346

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72938150) is 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ccccc1CNC(=O)CN1CCC2(CC1)NC(=O)CC2C(=O)O.
What is the InChIKey of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is JENYWVITRLFZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-4-2-3-5-14(13)11-20-17(24)12-22-8-6-19(7-9-22)15(18(25)26)10-16(23)21-19/h2-5,15H,6-12H2,1H3,(H,20,24)(H,21,23)(H,25,26).
What are the key properties of 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72938150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).