(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid

C15H24N2O3 — CID 162479525

IUPAC(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid
SMILESCN1CCCCC12CCN([C@@H](CC1CC1)C(=O)O)C2=O
InChIInChI=1S/C15H24N2O3/c1-16-8-3-2-6-15(16)7-9-17(14(15)20)12(13(18)19)10-11-4-5-11/h11-12H,2-10H2,1H3,(H,18,19)/t12-,15?/m0/s1
InChIKeyIWXQNDNVVCALST-SFVWDYPZSA-N
MW280.37 g/mol
LogP1.33
Rot. Bonds4

About (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid

(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid (PubChem CID 162479525) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid
PubChem CID162479525
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid
SMILESCN1CCCCC12CCN([C@@H](CC1CC1)C(=O)O)C2=O
InChIInChI=1S/C15H24N2O3/c1-16-8-3-2-6-15(16)7-9-17(14(15)20)12(13(18)19)10-11-4-5-11/h11-12H,2-10H2,1H3,(H,18,19)/t12-,15?/m0/s1
InChIKeyIWXQNDNVVCALST-SFVWDYPZSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854
(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid
CID 68682826
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 11402201
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid;(2R)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 160791628
(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692820
(2R)-2-[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanedioic acid
CID 135605579
(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692821
tert-butyl 7-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-hydroxypyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 166749539
(2S)-2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-cyclopropylpropanoic acid
CID 168704554
3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid
CID 155352899
2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid
CID 174664604
(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid
CID 90853649

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid (CID 162479525) is (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid is CN1CCCCC12CCN([C@@H](CC1CC1)C(=O)O)C2=O.
What is the InChIKey of (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid?
The InChIKey is IWXQNDNVVCALST-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-8-3-2-6-15(16)7-9-17(14(15)20)12(13(18)19)10-11-4-5-11/h11-12H,2-10H2,1H3,(H,18,19)/t12-,15?/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid?
(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid is sourced from PubChem (CID 162479525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).