cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

C11H19NO4 — CID 72698660

IUPACcis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-15-9(13)7-6-8(7)12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyWQCFOWMOJLYSPS-SFYZADRCSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds3

About cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (PubChem CID 72698660) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
PubChem CID72698660
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namecis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-15-9(13)7-6-8(7)12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyWQCFOWMOJLYSPS-SFYZADRCSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1R,2R)-2-(((tert-butoxy)carbonyl)amino)cyclopropane-1-carboxylic acid
CID 16228793
2-{[(Tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid
CID 18540068
rac-(1R,2S)-2-((tert-butoxycarbonyl)amino)cyclopropanecarboxylic acid
CID 91800895
(1S,2S)-2-(((tert-butoxy)carbonyl)amino)cyclopropane-1-carboxylic acid
CID 25324159
methyl (2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 100957174
methyl (2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101069968
Methyl (S)-3-Boc-aminobutyrate
CID 11218213
Methyl (R)-N-Boc-3-aminobutyrate
CID 11458612
Ethyl 3-(((1,1-dimethylethoxy)carbonyl)amino)butanoate
CID 22406406
Ethyl 4-((tert-butoxycarbonyl)amino)butanoate
CID 57829509
Methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87219708
(S)-Ethyl 4-((tert-butoxycarbonyl)amino)pentanoate
CID 92001257

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (CID 72698660) is cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The InChIKey is WQCFOWMOJLYSPS-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-15-9(13)7-6-8(7)12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 72698660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).