methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate

C9H13NO2 — CID 15381141

IUPACmethyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate
SMILESC=C1C=CC[C@](N)(C(=O)OC)C1
InChIInChI=1S/C9H13NO2/c1-7-4-3-5-9(10,6-7)8(11)12-2/h3-4H,1,5-6,10H2,2H3/t9-/m1/s1
InChIKeyRNUMMIINHWRYES-SECBINFHSA-N
MW167.21 g/mol
LogP0.76
Rot. Bonds1

About methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate

methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate (PubChem CID 15381141) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate
PubChem CID15381141
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate
SMILESC=C1C=CC[C@](N)(C(=O)OC)C1
InChIInChI=1S/C9H13NO2/c1-7-4-3-5-9(10,6-7)8(11)12-2/h3-4H,1,5-6,10H2,2H3/t9-/m1/s1
InChIKeyRNUMMIINHWRYES-SECBINFHSA-N
XLogP0.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate (CID 15381141) is methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate is C=C1C=CC[C@](N)(C(=O)OC)C1.
What is the InChIKey of methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate?
The InChIKey is RNUMMIINHWRYES-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-4-3-5-9(10,6-7)8(11)12-2/h3-4H,1,5-6,10H2,2H3/t9-/m1/s1.
What are the key properties of methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate?
methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 15381141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).