(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

C17H24N4O4 — CID 97138499

IUPAC(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C17H24N4O4/c1-12(16(24)25)21-11-17(4-3-14(21)22)5-7-20(8-6-17)15(23)13-9-18-19(2)10-13/h9-10,12H,3-8,11H2,1-2H3,(H,24,25)/t12-/m1/s1
InChIKeyAEFNGFKHBCZYLD-GFCCVEGCSA-N
MW348.40 g/mol
LogP0.74
Rot. Bonds3

About (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (PubChem CID 97138499) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
PubChem CID97138499
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C17H24N4O4/c1-12(16(24)25)21-11-17(4-3-14(21)22)5-7-20(8-6-17)15(23)13-9-18-19(2)10-13/h9-10,12H,3-8,11H2,1-2H3,(H,24,25)/t12-/m1/s1
InChIKeyAEFNGFKHBCZYLD-GFCCVEGCSA-N
XLogP0.74
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97151972
(2R)-2-[9-(3,4-difluorobenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97129822
(2S)-2-[9-(3-methoxybenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97124570
(2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97117922
(2S)-2-[3-oxo-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97134904
(2S)-2-[3-oxo-9-(2-pyrrolidin-1-ylacetyl)-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97150258
2-[3-oxo-9-(2-pyrrolidin-1-ylacetyl)-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 72926901
9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen
CID 155579337
(2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97147878
1-[(3S)-3-(hydroxymethyl)-3-methyl-8-(1-methylpyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124971076
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (CID 97138499) is (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C(=O)c1cnn(C)c1)CC2.
What is the InChIKey of (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
The InChIKey is AEFNGFKHBCZYLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(16(24)25)21-11-17(4-3-14(21)22)5-7-20(8-6-17)15(23)13-9-18-19(2)10-13/h9-10,12H,3-8,11H2,1-2H3,(H,24,25)/t12-/m1/s1.
What are the key properties of (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid has a molecular weight of 348.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is sourced from PubChem (CID 97138499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).