2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid

C22H20N2O5 — CID 170882317

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
SMILESCc1cc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)no1
InChIInChI=1S/C22H20N2O5/c1-13-10-14(24-29-13)11-20(21(25)26)23-22(27)28-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-10,19-20H,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyRYLXAHNKOZOCMG-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.52
Rot. Bonds6

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid (PubChem CID 170882317) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
PubChem CID170882317
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
SMILESCc1cc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)no1
InChIInChI=1S/C22H20N2O5/c1-13-10-14(24-29-13)11-20(21(25)26)23-22(27)28-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-10,19-20H,11-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyRYLXAHNKOZOCMG-UHFFFAOYSA-N
XLogP3.52
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-2-pyridinyl)propanoic acid
CID 178189514
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061
(2S)-3-(2,3-dimethylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 73013289
(2S)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 71628820
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 11027062
3-(6-cyanopyridazin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 146313558
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-phenyltriazol-4-yl)propanoic acid
CID 68760719
3-[2-(dimethylamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882591
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-methylphenoxy)phenyl]propanoic acid
CID 170882315
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
3-(3-ethyl-1-methylpyrazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103695853

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid (CID 170882317) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid is Cc1cc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)no1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is RYLXAHNKOZOCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-13-10-14(24-29-13)11-20(21(25)26)23-22(27)28-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-10,19-20H,11-12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid has a molecular weight of 392.41 g/mol, XLogP of 3.52, 6 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-(5-methyl-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 170882317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).