2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid

C25H27N3O4 — CID 165496105

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid
SMILESCC(C)c1nccn1C(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H27N3O4/c1-15(2)23-26-12-13-28(23)16(3)22(24(29)30)27-25(31)32-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-13,15-16,21-22H,14H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyFHTVSRBITZRXTI-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.56
Rot. Bonds7

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid (PubChem CID 165496105) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid
PubChem CID165496105
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid
SMILESCC(C)c1nccn1C(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H27N3O4/c1-15(2)23-26-12-13-28(23)16(3)22(24(29)30)27-25(31)32-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-13,15-16,21-22H,14H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyFHTVSRBITZRXTI-UHFFFAOYSA-N
XLogP4.56
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitroimidazol-1-yl)butanoic acid
CID 146013137
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]oxypropanoic acid
CID 23387354
(2S,3S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-oxopentanoic acid
CID 102324396
3-(1-ethylimidazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103668024
sodium [1-carboxy-1-(9H-fluoren-9-ylmethoxycarbonylamino)propan-2-yl] sulfate
CID 138114573
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxysulfanyloxybutanoic acid
CID 175695247
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid (CID 165496105) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid is CC(C)c1nccn1C(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid?
The InChIKey is FHTVSRBITZRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-15(2)23-26-12-13-28(23)16(3)22(24(29)30)27-25(31)32-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-13,15-16,21-22H,14H2,1-3H3,(H,27,31)(H,29,30).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid has a molecular weight of 433.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-propan-2-ylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 165496105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).