3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid

C25H25N3O4 — CID 165490496

IUPAC3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
SMILESCC(Cn1cc(C2CC2)cn1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H25N3O4/c1-25(23(29)30,15-28-13-17(12-26-28)16-10-11-16)27-24(31)32-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,12-13,16,22H,10-11,14-15H2,1H3,(H,27,31)(H,29,30)
InChIKeyAHBMOUCZWHWDKQ-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.14
Rot. Bonds7

About 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid

3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid (PubChem CID 165490496) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
PubChem CID165490496
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
SMILESCC(Cn1cc(C2CC2)cn1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H25N3O4/c1-25(23(29)30,15-28-13-17(12-26-28)16-10-11-16)27-24(31)32-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,12-13,16,22H,10-11,14-15H2,1H3,(H,27,31)(H,29,30)
InChIKeyAHBMOUCZWHWDKQ-UHFFFAOYSA-N
XLogP4.14
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-(4-propan-2-yloxypyrazol-1-yl)propanoic acid
CID 165490446
3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 154724956
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpent-4-ynoic acid
CID 51885237
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-methylsulfonylpropanoic acid
CID 91128209
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-(1-tritylimidazol-4-yl)propanoic acid
CID 172529180
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 25132218
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
CID 53395080
CID 123635365
CID 123635365

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid (CID 165490496) is 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid is CC(Cn1cc(C2CC2)cn1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid?
The InChIKey is AHBMOUCZWHWDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-25(23(29)30,15-28-13-17(12-26-28)16-10-11-16)27-24(31)32-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,12-13,16,22H,10-11,14-15H2,1H3,(H,27,31)(H,29,30).
What are the key properties of 3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid?
3-(4-cyclopropylpyrazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid has a molecular weight of 431.49 g/mol, XLogP of 4.14, 7 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-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 165490496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).