cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid

C15H19NO4 — CID 2734147

IUPACcis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/t11-,15-/m1/s1
InChIKeyVMOVYASDUSWBOL-IAQYHMDHSA-N
MW277.32 g/mol
LogP2.52
Rot. Bonds3

About cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid

cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 2734147) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID2734147
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/t11-,15-/m1/s1
InChIKeyVMOVYASDUSWBOL-IAQYHMDHSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 2734147) is cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is VMOVYASDUSWBOL-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/t11-,15-/m1/s1.
What are the key properties of cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid?
cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 2734147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).