(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid

C26H25NO5 — CID 175653890

IUPAC(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc([C@@H](C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
InChIInChI=1S/C26H25NO5/c1-16(17-11-13-18(31-2)14-12-17)24(25(28)29)27-26(30)32-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,16,23-24H,15H2,1-2H3,(H,27,30)(H,28,29)/t16-,24-/m1/s1
InChIKeyZYISJENTQITBJK-VOIUYBSRSA-N
MW431.49 g/mol
LogP4.79
Rot. Bonds7

About (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid

(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid (PubChem CID 175653890) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid
PubChem CID175653890
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc([C@@H](C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
InChIInChI=1S/C26H25NO5/c1-16(17-11-13-18(31-2)14-12-17)24(25(28)29)27-26(30)32-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,16,23-24H,15H2,1-2H3,(H,27,30)(H,28,29)/t16-,24-/m1/s1
InChIKeyZYISJENTQITBJK-VOIUYBSRSA-N
XLogP4.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid with MolForge

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Related Compounds

(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 2762365
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 91810266
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
9H-fluoren-9-ylmethyl N-[(2S,3R)-1-amino-3-[(4-methoxyphenyl)-(4-methylphenyl)methoxy]-1-oxobutan-2-yl]carbamate
CID 127239899
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxysulfanyloxybutanoic acid
CID 175695247
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
(2S,5R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4,5,6-tetrahydroxyhexanoic acid
CID 121402913
(2S,3S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-oxopentanoic acid
CID 102324396
4-[4-[(R)-(9H-fluoren-9-ylmethoxycarbonylamino)-(4-methoxyphenyl)methyl]phenoxy]butanoic acid
CID 95565900

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid?
The IUPAC name of (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid (CID 175653890) is (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid is COc1ccc([C@@H](C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1.
What is the InChIKey of (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid?
The InChIKey is ZYISJENTQITBJK-VOIUYBSRSA-N. The full InChI is InChI=1S/C26H25NO5/c1-16(17-11-13-18(31-2)14-12-17)24(25(28)29)27-26(30)32-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,16,23-24H,15H2,1-2H3,(H,27,30)(H,28,29)/t16-,24-/m1/s1.
What are the key properties of (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid?
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid has a molecular weight of 431.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 175653890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).