3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C15H23N3O4 — CID 165490368

IUPAC3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C(NC(=O)OC(C)(C)C)C(=O)O)n1cc(C2CC2)cn1
InChIInChI=1S/C15H23N3O4/c1-9(18-8-11(7-16-18)10-5-6-10)12(13(19)20)17-14(21)22-15(2,3)4/h7-10,12H,5-6H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyYPQHAMGXZDVSDW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.30
Rot. Bonds5

About 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 165490368) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID165490368
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C(NC(=O)OC(C)(C)C)C(=O)O)n1cc(C2CC2)cn1
InChIInChI=1S/C15H23N3O4/c1-9(18-8-11(7-16-18)10-5-6-10)12(13(19)20)17-14(21)22-15(2,3)4/h7-10,12H,5-6H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyYPQHAMGXZDVSDW-UHFFFAOYSA-N
XLogP2.30
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid with MolForge

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Related Compounds

3-(4-ethoxypyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165495586
3-(4-chloro-5-methylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165490319
(2S,3S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 130332365
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 172639251
tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
CID 71758365
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
(2S)-4-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 86699111
(2S)-3-(4-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172894241
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propan-2-ylpentanoic acid
CID 154733829
(3R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87925903
(2R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 126969835
(2S)-5-amino-3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 102156113

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 165490368) is 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C(NC(=O)OC(C)(C)C)C(=O)O)n1cc(C2CC2)cn1.
What is the InChIKey of 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is YPQHAMGXZDVSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9(18-8-11(7-16-18)10-5-6-10)12(13(19)20)17-14(21)22-15(2,3)4/h7-10,12H,5-6H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 309.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 165490368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).