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

C10H19NO5 — CID 90284220

IUPAC[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
SMILESC[C@H](OC1CCCCO1)[C@@H](CO)NC(=O)O
InChIInChI=1S/C10H19NO5/c1-7(8(6-12)11-10(13)14)16-9-4-2-3-5-15-9/h7-9,11-12H,2-6H2,1H3,(H,13,14)/t7-,8+,9?/m0/s1
InChIKeyVURYYPUYULVORA-ZQTLJVIJSA-N
MW233.26 g/mol
LogP0.55
Rot. Bonds5

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

[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid (PubChem CID 90284220) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
PubChem CID90284220
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
SMILESC[C@H](OC1CCCCO1)[C@@H](CO)NC(=O)O
InChIInChI=1S/C10H19NO5/c1-7(8(6-12)11-10(13)14)16-9-4-2-3-5-15-9/h7-9,11-12H,2-6H2,1H3,(H,13,14)/t7-,8+,9?/m0/s1
InChIKeyVURYYPUYULVORA-ZQTLJVIJSA-N
XLogP0.55
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2-(2,2-difluoroethylamino)-3-(oxan-2-yloxy)butan-1-ol
CID 169181575
3-(oxan-2-yloxy)butanoic acid
CID 14279636
2-(oxan-2-yloxy)propanoic acid
CID 542280
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843
benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 118237094
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
CID 79253075
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
The IUPAC name of [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid (CID 90284220) is [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid.
What is the SMILES notation for [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
The canonical SMILES for [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid is C[C@H](OC1CCCCO1)[C@@H](CO)NC(=O)O.
What is the InChIKey of [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
The InChIKey is VURYYPUYULVORA-ZQTLJVIJSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(8(6-12)11-10(13)14)16-9-4-2-3-5-15-9/h7-9,11-12H,2-6H2,1H3,(H,13,14)/t7-,8+,9?/m0/s1.
What are the key properties of [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid?
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid has a molecular weight of 233.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid is sourced from PubChem (CID 90284220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).