[(3R)-oxan-3-yl]-propan-2-ylcarbamic acid

C9H17NO3 — CID 69264708

IUPAC[(3R)-oxan-3-yl]-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)[C@@H]1CCCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)10(9(11)12)8-4-3-5-13-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyQRWNHCOPGQREAU-MRVPVSSYSA-N
MW187.24 g/mol
LogP1.55
Rot. Bonds2

About [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid

[(3R)-oxan-3-yl]-propan-2-ylcarbamic acid (PubChem CID 69264708) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[(3R)-oxan-3-yl]-propan-2-ylcarbamic acid
PubChem CID69264708
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(3R)-oxan-3-yl]-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)[C@@H]1CCCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)10(9(11)12)8-4-3-5-13-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyQRWNHCOPGQREAU-MRVPVSSYSA-N
XLogP1.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid?
The IUPAC name of [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid (CID 69264708) is [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid?
The canonical SMILES for [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)[C@@H]1CCCOC1.
What is the InChIKey of [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid?
The InChIKey is QRWNHCOPGQREAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)10(9(11)12)8-4-3-5-13-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid?
[(3R)-oxan-3-yl]-propan-2-ylcarbamic acid has a molecular weight of 187.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxan-3-yl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 69264708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).