2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

C15H21N3O4 — CID 124705021

IUPAC2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1
InChIInChI=1S/C15H21N3O4/c19-14(20)9-12-10-17(7-8-22-12)15(21)13-5-6-18(16-13)11-3-1-2-4-11/h5-6,11-12H,1-4,7-10H2,(H,19,20)/t12-/m1/s1
InChIKeyCHXBIHBGECUAKR-GFCCVEGCSA-N
MW307.35 g/mol
LogP1.31
Rot. Bonds4

About 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124705021) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124705021
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1
InChIInChI=1S/C15H21N3O4/c19-14(20)9-12-10-17(7-8-22-12)15(21)13-5-6-18(16-13)11-3-1-2-4-11/h5-6,11-12H,1-4,7-10H2,(H,19,20)/t12-/m1/s1
InChIKeyCHXBIHBGECUAKR-GFCCVEGCSA-N
XLogP1.31
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 129415546
2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124702711
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
(1-cyclopentylpyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023312
2-[(2S)-4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124698603
2-[(2R)-4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124696632
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
2-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527605
2-[(2S)-4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124682575
2-[4-(4-pyrazol-1-ylpyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527660

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (CID 124705021) is 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1.
What is the InChIKey of 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is CHXBIHBGECUAKR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-14(20)9-12-10-17(7-8-22-12)15(21)13-5-6-18(16-13)11-3-1-2-4-11/h5-6,11-12H,1-4,7-10H2,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 1.31, 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-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124705021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).