2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

C17H25N3O4 — CID 124682575

IUPAC2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)(C)n1nc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1C1CC1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)20-14(11-4-5-11)9-13(18-20)16(23)19-6-7-24-12(10-19)8-15(21)22/h9,11-12H,4-8,10H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeySXAJSWNNNWCFFI-LBPRGKRZSA-N
MW335.40 g/mol
LogP1.83
Rot. Bonds4

About 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124682575) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124682575
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)(C)n1nc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1C1CC1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)20-14(11-4-5-11)9-13(18-20)16(23)19-6-7-24-12(10-19)8-15(21)22/h9,11-12H,4-8,10H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeySXAJSWNNNWCFFI-LBPRGKRZSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-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-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124681582
(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129414668
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995335
2-[(2R)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682530
2-[(2S)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682528
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124705021
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (CID 124682575) is 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is CC(C)(C)n1nc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1C1CC1.
What is the InChIKey of 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is SXAJSWNNNWCFFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,3)20-14(11-4-5-11)9-13(18-20)16(23)19-6-7-24-12(10-19)8-15(21)22/h9,11-12H,4-8,10H2,1-3H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124682575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).