2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid

C18H21N3O4 — CID 129470093

IUPAC2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2cccc([C@H]3CCOC3)c2)cn1
InChIInChI=1S/C18H21N3O4/c1-18(2,17(23)24)21-10-15(9-19-21)20-16(22)13-5-3-4-12(8-13)14-6-7-25-11-14/h3-5,8-10,14H,6-7,11H2,1-2H3,(H,20,22)(H,23,24)/t14-/m0/s1
InChIKeySBNHYQGDPSSVDP-AWEZNQCLSA-N
MW343.38 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 129470093) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID129470093
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2cccc([C@H]3CCOC3)c2)cn1
InChIInChI=1S/C18H21N3O4/c1-18(2,17(23)24)21-10-15(9-19-21)20-16(22)13-5-3-4-12(8-13)14-6-7-25-11-14/h3-5,8-10,14H,6-7,11H2,1-2H3,(H,20,22)(H,23,24)/t14-/m0/s1
InChIKeySBNHYQGDPSSVDP-AWEZNQCLSA-N
XLogP2.46
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid with MolForge

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Related Compounds

N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-3-[(3S)-oxolan-3-yl]benzamide
CID 125136007
N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118305093
3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
2-methyl-2-[4-[[3-(trifluoromethoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696478
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide
CID 124729838
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696781
N-(4-bromo-3-fluorophenyl)-3-(oxolan-3-yl)benzamide
CID 167939993
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-(oxolan-3-yl)benzamide
CID 139004733
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid (CID 129470093) is 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)c2cccc([C@H]3CCOC3)c2)cn1.
What is the InChIKey of 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is SBNHYQGDPSSVDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(2,17(23)24)21-10-15(9-19-21)20-16(22)13-5-3-4-12(8-13)14-6-7-25-11-14/h3-5,8-10,14H,6-7,11H2,1-2H3,(H,20,22)(H,23,24)/t14-/m0/s1.
What are the key properties of 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[3-[(3R)-oxolan-3-yl]benzoyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 129470093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).