[(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid

C7H13NO3 — CID 69314557

IUPAC[(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid
SMILESC[C@@H]1C[C@@]1(CO)N(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5-3-7(5,4-9)8(2)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11)/t5-,7+/m1/s1
InChIKeyLCAVXFAKIUIVBW-VDTYLAMSSA-N
MW159.19 g/mol
LogP0.37
Rot. Bonds2

About [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid

[(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid (PubChem CID 69314557) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid
PubChem CID69314557
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name[(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid
SMILESC[C@@H]1C[C@@]1(CO)N(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5-3-7(5,4-9)8(2)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11)/t5-,7+/m1/s1
InChIKeyLCAVXFAKIUIVBW-VDTYLAMSSA-N
XLogP0.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid?
The IUPAC name of [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid (CID 69314557) is [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid.
What is the SMILES notation for [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid?
The canonical SMILES for [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid is C[C@@H]1C[C@@]1(CO)N(C)C(=O)O.
What is the InChIKey of [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid?
The InChIKey is LCAVXFAKIUIVBW-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-3-7(5,4-9)8(2)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11)/t5-,7+/m1/s1.
What are the key properties of [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid?
[(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid has a molecular weight of 159.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(hydroxymethyl)-2-methylcyclopropyl]-methylcarbamic acid is sourced from PubChem (CID 69314557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).