2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid

C24H22N4O5 — CID 175252148

IUPAC2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.Oc1cccc2n[nH]nc12
InChIInChI=1S/C18H17NO4.C6H5N3O/c1-11(17(20)21)19-18(22)23-10-13-6-4-8-15-14-7-3-2-5-12(14)9-16(13)15;10-5-3-1-2-4-6(5)8-9-7-4/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21);1-3,10H,(H,7,8,9)
InChIKeyWDKLISFRXPZDRT-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.62
Rot. Bonds4

About 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid

2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid (PubChem CID 175252148) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
PubChem CID175252148
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.Oc1cccc2n[nH]nc12
InChIInChI=1S/C18H17NO4.C6H5N3O/c1-11(17(20)21)19-18(22)23-10-13-6-4-8-15-14-7-3-2-5-12(14)9-16(13)15;10-5-3-1-2-4-6(5)8-9-7-4/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21);1-3,10H,(H,7,8,9)
InChIKeyWDKLISFRXPZDRT-UHFFFAOYSA-N
XLogP3.62
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 174881683
(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 87881323
ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
CID 175450580
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid
CID 67426893
2-[amino(9H-fluoren-1-ylmethoxycarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 175280707
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
3-[2-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 70036649
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid (CID 175252148) is 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid is CC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.Oc1cccc2n[nH]nc12.
What is the InChIKey of 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is WDKLISFRXPZDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.C6H5N3O/c1-11(17(20)21)19-18(22)23-10-13-6-4-8-15-14-7-3-2-5-12(14)9-16(13)15;10-5-3-1-2-4-6(5)8-9-7-4/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21);1-3,10H,(H,7,8,9).
What are the key properties of 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid?
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 446.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 175252148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).