[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid

C9H18N2O3 — CID 69286669

IUPAC[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid
SMILESCOCC1C[C@H](N)CCC1NC(=O)O
InChIInChI=1S/C9H18N2O3/c1-14-5-6-4-7(10)2-3-8(6)11-9(12)13/h6-8,11H,2-5,10H2,1H3,(H,12,13)/t6?,7-,8?/m1/s1
InChIKeyRJUCGFGJFVCBED-ZUEIMRROSA-N
MW202.25 g/mol
LogP0.40
Rot. Bonds3

About [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid

[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid (PubChem CID 69286669) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid
PubChem CID69286669
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid
SMILESCOCC1C[C@H](N)CCC1NC(=O)O
InChIInChI=1S/C9H18N2O3/c1-14-5-6-4-7(10)2-3-8(6)11-9(12)13/h6-8,11H,2-5,10H2,1H3,(H,12,13)/t6?,7-,8?/m1/s1
InChIKeyRJUCGFGJFVCBED-ZUEIMRROSA-N
XLogP0.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid (CID 69286669) is [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid is COCC1C[C@H](N)CCC1NC(=O)O.
What is the InChIKey of [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid?
The InChIKey is RJUCGFGJFVCBED-ZUEIMRROSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-5-6-4-7(10)2-3-8(6)11-9(12)13/h6-8,11H,2-5,10H2,1H3,(H,12,13)/t6?,7-,8?/m1/s1.
What are the key properties of [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid?
[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid has a molecular weight of 202.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 69286669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).