(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid

C24H21NO5 — CID 70650161

IUPAC(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(N[C@H](c1ccccc1)[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO5/c26-22(23(27)28)21(15-8-2-1-3-9-15)25-24(29)30-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-22,26H,14H2,(H,25,29)(H,27,28)/t21-,22+/m1/s1
InChIKeyQOYRELXVQPLAAB-YADHBBJMSA-N
MW403.43 g/mol
LogP3.71
Rot. Bonds6

About (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid

(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid (PubChem CID 70650161) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
PubChem CID70650161
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(N[C@H](c1ccccc1)[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO5/c26-22(23(27)28)21(15-8-2-1-3-9-15)25-24(29)30-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-22,26H,14H2,(H,25,29)(H,27,28)/t21-,22+/m1/s1
InChIKeyQOYRELXVQPLAAB-YADHBBJMSA-N
XLogP3.71
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 53398437
(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 2762365
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 53398472
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 42550507
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-3-sulfanylpropanoic acid
CID 135021468
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid
CID 67089528
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid (CID 70650161) is (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid is O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is QOYRELXVQPLAAB-YADHBBJMSA-N. The full InChI is InChI=1S/C24H21NO5/c26-22(23(27)28)21(15-8-2-1-3-9-15)25-24(29)30-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-22,26H,14H2,(H,25,29)(H,27,28)/t21-,22+/m1/s1.
What are the key properties of (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid?
(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 403.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 70650161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).