trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

C10H17NO4 — CID 91800894

IUPACtrans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-5-6(7)8(12)14-4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7-/m1/s1
InChIKeyJYDFYTQQOAHATE-RNFRBKRXSA-N
MW215.25 g/mol
LogP1.07
Rot. Bonds2

About trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (PubChem CID 91800894) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
PubChem CID91800894
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametrans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-5-6(7)8(12)14-4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7-/m1/s1
InChIKeyJYDFYTQQOAHATE-RNFRBKRXSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-((tert-butoxycarbonyl)amino)butanoate
CID 13112352
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-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101548672
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-((tert-butoxycarbonyl)amino)-4-iodobutanoate
CID 10991512
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

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (CID 91800894) is trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The InChIKey is JYDFYTQQOAHATE-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-5-6(7)8(12)14-4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7-/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 91800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).