(2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane

C32H40N2O8 — CID 162022771

IUPAC(2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane
SMILESCC.N[C@H](CCO)C(=O)O.O=C(N[C@H](CCO)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25NO5.C4H9NO3.C2H6/c28-15-14-24(25(29)31-16-18-8-2-1-3-9-18)27-26(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23;5-3(1-2-6)4(7)8;1-2/h1-13,23-24,28H,14-17H2,(H,27,30);3,6H,1-2,5H2,(H,7,8);1-2H3/t24-;3-;/m11./s1
InChIKeyYUYRSRAIKALJLI-UJZYGZGXSA-N
MW580.68 g/mol
LogP3.83
Rot. Bonds11

About (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane

(2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane (PubChem CID 162022771) has the molecular formula C32H40N2O8 and a molecular weight of 580.68 g/mol. Its IUPAC name is (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane.

Molecular Properties

Compound Name(2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane
PubChem CID162022771
Molecular FormulaC32H40N2O8
Molecular Weight580.68 g/mol
Exact Mass580.28
IUPAC Name(2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane
SMILESCC.N[C@H](CCO)C(=O)O.O=C(N[C@H](CCO)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25NO5.C4H9NO3.C2H6/c28-15-14-24(25(29)31-16-18-8-2-1-3-9-18)27-26(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23;5-3(1-2-6)4(7)8;1-2/h1-13,23-24,28H,14-17H2,(H,27,30);3,6H,1-2,5H2,(H,7,8);1-2H3/t24-;3-;/m11./s1
InChIKeyYUYRSRAIKALJLI-UJZYGZGXSA-N
XLogP3.83
TPSA168.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.68
LogP ≤ 53.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66674263
benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66670922
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 75628880
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 10049854
sodium;benzyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;bromomethylbenzene;2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid;oxido formate
CID 159992286
benzyl (2R)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 70899480
benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 102217159
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-4-hydroxybutanoic acid
CID 165483755
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-phenylmethoxybutanoic acid;3-methylpentan-3-ol
CID 175451264
sodium;benzyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;bromomethylbenzene;2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid;9H-fluoren-9-ylmethyl phenylmethoxysulfanylformate;methane;oxido formate
CID 159070235
(2S)-2-amino-5-[(4S)-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoyl]oxy-5-oxopentanoic acid
CID 175127684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane?
The IUPAC name of (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane (CID 162022771) is (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane.
What is the SMILES notation for (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane?
The canonical SMILES for (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane is CC.N[C@H](CCO)C(=O)O.O=C(N[C@H](CCO)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane?
The InChIKey is YUYRSRAIKALJLI-UJZYGZGXSA-N. The full InChI is InChI=1S/C26H25NO5.C4H9NO3.C2H6/c28-15-14-24(25(29)31-16-18-8-2-1-3-9-18)27-26(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23;5-3(1-2-6)4(7)8;1-2/h1-13,23-24,28H,14-17H2,(H,27,30);3,6H,1-2,5H2,(H,7,8);1-2H3/t24-;3-;/m11./s1.
What are the key properties of (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane?
(2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane has a molecular weight of 580.68 g/mol, XLogP of 3.83, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-hydroxybutanoic acid;benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate;ethane is sourced from PubChem (CID 162022771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).