2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

C17H27N3O4 — CID 124681582

IUPAC2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)c1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)nn1C(C)(C)C
InChIInChI=1S/C17H27N3O4/c1-11(2)14-9-13(18-20(14)17(3,4)5)16(23)19-6-7-24-12(10-19)8-15(21)22/h9,11-12H,6-8,10H2,1-5H3,(H,21,22)/t12-/m1/s1
InChIKeyNJJOZBARPZTXOS-GFCCVEGCSA-N
MW337.42 g/mol
LogP2.08
Rot. Bonds4

About 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124681582) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124681582
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)c1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)nn1C(C)(C)C
InChIInChI=1S/C17H27N3O4/c1-11(2)14-9-13(18-20(14)17(3,4)5)16(23)19-6-7-24-12(10-19)8-15(21)22/h9,11-12H,6-8,10H2,1-5H3,(H,21,22)/t12-/m1/s1
InChIKeyNJJOZBARPZTXOS-GFCCVEGCSA-N
XLogP2.08
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic 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

2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124682575
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[(2R)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682530
(3S)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholine-3-carboxylic acid
CID 125150361
2-[(2S)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682528
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
2-[4-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 66422545

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (CID 124681582) is 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is CC(C)c1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)nn1C(C)(C)C.
What is the InChIKey of 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is NJJOZBARPZTXOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11(2)14-9-13(18-20(14)17(3,4)5)16(23)19-6-7-24-12(10-19)8-15(21)22/h9,11-12H,6-8,10H2,1-5H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 337.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124681582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).