[(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid

C10H19NO4 — CID 69263229

IUPAC[(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)[C@H](O)[C@@H]1CCCCOC1
InChIInChI=1S/C10H19NO4/c1-7(11-10(13)14)9(12)8-4-2-3-5-15-6-8/h7-9,11-12H,2-6H2,1H3,(H,13,14)/t7?,8-,9+/m1/s1
InChIKeyDKXLJOPDXNAJAT-ASODMVGOSA-N
MW217.26 g/mol
LogP0.82
Rot. Bonds3

About [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid

[(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid (PubChem CID 69263229) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid
PubChem CID69263229
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)[C@H](O)[C@@H]1CCCCOC1
InChIInChI=1S/C10H19NO4/c1-7(11-10(13)14)9(12)8-4-2-3-5-15-6-8/h7-9,11-12H,2-6H2,1H3,(H,13,14)/t7?,8-,9+/m1/s1
InChIKeyDKXLJOPDXNAJAT-ASODMVGOSA-N
XLogP0.82
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
CID 69191542
2-(oxan-3-yl)butanoic acid
CID 82411862
2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid
CID 103377892
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
3-(oxan-3-yl)pentan-2-one
CID 107135367

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid?
The IUPAC name of [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid (CID 69263229) is [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid is CC(NC(=O)O)[C@H](O)[C@@H]1CCCCOC1.
What is the InChIKey of [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid?
The InChIKey is DKXLJOPDXNAJAT-ASODMVGOSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(11-10(13)14)9(12)8-4-2-3-5-15-6-8/h7-9,11-12H,2-6H2,1H3,(H,13,14)/t7?,8-,9+/m1/s1.
What are the key properties of [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid?
[(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid has a molecular weight of 217.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 69263229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).