(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid

C26H27NO6 — CID 70815205

IUPAC(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid
SMILESO=C(NC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C26H27NO6/c28-25(29)24(32-18-21-12-6-2-7-13-21)23(31-17-20-10-4-1-5-11-20)16-27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,30)(H,28,29)/t23-,24+/m1/s1
InChIKeyBJCGNHLYQWFWGV-RPWUZVMVSA-N
MW449.50 g/mol
LogP4.17
Rot. Bonds12

About (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid

(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid (PubChem CID 70815205) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid
PubChem CID70815205
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid
SMILESO=C(NC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C26H27NO6/c28-25(29)24(32-18-21-12-6-2-7-13-21)23(31-17-20-10-4-1-5-11-20)16-27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,30)(H,28,29)/t23-,24+/m1/s1
InChIKeyBJCGNHLYQWFWGV-RPWUZVMVSA-N
XLogP4.17
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
CID 67806638
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67292704
benzyl N-(2-amino-3,3-difluoropropyl)carbamate
CID 86731696
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
2-hydroxy-3-oxo-4-(phenylmethoxycarbonylamino)butanoic acid
CID 139920935
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[(E)-2-hydroxy-5-oxopent-3-enyl]carbamate
CID 11139516

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid (CID 70815205) is (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid is O=C(NC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid?
The InChIKey is BJCGNHLYQWFWGV-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H27NO6/c28-25(29)24(32-18-21-12-6-2-7-13-21)23(31-17-20-10-4-1-5-11-20)16-27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,27,30)(H,28,29)/t23-,24+/m1/s1.
What are the key properties of (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid?
(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid has a molecular weight of 449.50 g/mol, XLogP of 4.17, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 70815205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).