benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid

C17H25NO5 — CID 118237094

IUPACbenzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
SMILESC[C@@H](OC1CCCCO1)[C@@H](CO)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO5/c1-13(23-16-9-5-6-10-22-16)15(12-19)18(17(20)21)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,20,21)/t13-,15-,16?/m1/s1
InChIKeyWKJZWHGLZRCWLW-CWSLVUQWSA-N
MW323.39 g/mol
LogP2.46
Rot. Bonds7

About benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid

benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid (PubChem CID 118237094) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
PubChem CID118237094
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namebenzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
SMILESC[C@@H](OC1CCCCO1)[C@@H](CO)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO5/c1-13(23-16-9-5-6-10-22-16)15(12-19)18(17(20)21)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,20,21)/t13-,15-,16?/m1/s1
InChIKeyWKJZWHGLZRCWLW-CWSLVUQWSA-N
XLogP2.46
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
CID 139705725
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 90284220
benzyl 6-methyl-3-(oxan-2-yloxy)heptanoate
CID 10568752
ethyl (2S)-2-[(2S)-oxan-2-yl]oxy-4-phenylbutanoate
CID 139682584
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
benzyl (2S,3S)-2-amino-2-methyl-3-(oxan-2-yloxy)-3-phenylpropanoate
CID 10499333
methyl 2-[[(2R)-2-(oxan-2-yloxy)-3-phenylpropyl]-[(1R)-1-phenylethyl]amino]acetate
CID 68826511
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate
CID 10640542
3-methyl-2-(oxan-2-yloxy)-4-phenylbutanenitrile
CID 102467228
2-(oxan-2-yloxy)propanoic acid
CID 542280

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
The IUPAC name of benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid (CID 118237094) is benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid.
What is the SMILES notation for benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
The canonical SMILES for benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid is C[C@@H](OC1CCCCO1)[C@@H](CO)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
The InChIKey is WKJZWHGLZRCWLW-CWSLVUQWSA-N. The full InChI is InChI=1S/C17H25NO5/c1-13(23-16-9-5-6-10-22-16)15(12-19)18(17(20)21)11-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,20,21)/t13-,15-,16?/m1/s1.
What are the key properties of benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid has a molecular weight of 323.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid is sourced from PubChem (CID 118237094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).