(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid

C21H19N3O4 — CID 91872875

IUPAC(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid
SMILESO=C(N[C@H](Cn1ccnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H19N3O4/c25-20(26)19(11-24-10-9-22-13-24)23-21(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,13,18-19H,11-12H2,(H,23,27)(H,25,26)/t19-/m1/s1
InChIKeyFVAPDYJGOXBMQG-LJQANCHMSA-N
MW377.40 g/mol
LogP2.88
Rot. Bonds6

About (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid (PubChem CID 91872875) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid
PubChem CID91872875
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid
SMILESO=C(N[C@H](Cn1ccnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H19N3O4/c25-20(26)19(11-24-10-9-22-13-24)23-21(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,13,18-19H,11-12H2,(H,23,27)(H,25,26)/t19-/m1/s1
InChIKeyFVAPDYJGOXBMQG-LJQANCHMSA-N
XLogP2.88
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 165479487
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitroimidazol-1-yl)propanoic acid
CID 146013808
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
CID 175987234
(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
CID 57135941
3-(3-tert-butyl-1,2,4-triazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 165497144
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(pyridin-4-ylmethoxy)propanoic acid
CID 178201529
3-(1-ethylimidazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103668024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid (CID 91872875) is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid is O=C(N[C@H](Cn1ccnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid?
The InChIKey is FVAPDYJGOXBMQG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-20(26)19(11-24-10-9-22-13-24)23-21(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,13,18-19H,11-12H2,(H,23,27)(H,25,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid?
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid has a molecular weight of 377.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-imidazol-1-ylpropanoic acid is sourced from PubChem (CID 91872875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).