3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid

C24H25N3O5 — CID 104860895

IUPAC3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCOc1c(C(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)nn1C
InChIInChI=1S/C24H25N3O5/c1-14-22(23(31-3)27(2)26-14)20(12-21(28)29)25-24(30)32-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,25,30)(H,28,29)
InChIKeyUUYUSMPMRUILKI-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.79
Rot. Bonds7

About 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid (PubChem CID 104860895) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
PubChem CID104860895
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCOc1c(C(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)nn1C
InChIInChI=1S/C24H25N3O5/c1-14-22(23(31-3)27(2)26-14)20(12-21(28)29)25-24(30)32-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,25,30)(H,28,29)
InChIKeyUUYUSMPMRUILKI-UHFFFAOYSA-N
XLogP3.79
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(1,3-dimethylpyrazol-4-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103893242
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CID 103696681
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methylphenyl)propanoic acid
CID 7023335
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methylphenyl)propanoic acid
CID 22831633
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methyl-1-benzofuran-3-yl)propanoic acid
CID 103858031
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-propylimidazol-4-yl)propanoic acid
CID 103696729
3-(3,5-dimethoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 22309351
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid
CID 7023343
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methylsulfanylphenyl)propanoic acid
CID 7158628
3-(2,5-dimethylphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103667898
(3R)-3-(3-chloro-4-methoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103690038
(3R)-3-(3-chloro-4-methylphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid (CID 104860895) is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid is COc1c(C(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)nn1C.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
The InChIKey is UUYUSMPMRUILKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-14-22(23(31-3)27(2)26-14)20(12-21(28)29)25-24(30)32-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,25,30)(H,28,29).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid?
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid has a molecular weight of 435.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 104860895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).