trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid

C11H19NO4 — CID 139022503

IUPACtrans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-6(7-5-8(7)9(13)14)12-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)/t6?,7-,8+/m0/s1
InChIKeyITPSRQWNZXVSNJ-ZHFSPANRSA-N
MW229.28 g/mol
LogP1.62
Rot. Bonds3

About trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 139022503) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid
PubChem CID139022503
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametrans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-6(7-5-8(7)9(13)14)12-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)/t6?,7-,8+/m0/s1
InChIKeyITPSRQWNZXVSNJ-ZHFSPANRSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid (CID 139022503) is trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid is CC(NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is ITPSRQWNZXVSNJ-ZHFSPANRSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6(7-5-8(7)9(13)14)12-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)/t6?,7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 139022503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).