cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate

C11H19NO4 — CID 57095228

IUPACcis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H](N)C[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)8-5-7(8)6-9(12)11(14)16-4-2/h7-9H,3-6,12H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyRGQYQZSXXVRBMQ-DJLDLDEBSA-N
MW229.28 g/mol
LogP0.47
Rot. Bonds6

About cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate (PubChem CID 57095228) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
PubChem CID57095228
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namecis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H](N)C[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)8-5-7(8)6-9(12)11(14)16-4-2/h7-9H,3-6,12H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyRGQYQZSXXVRBMQ-DJLDLDEBSA-N
XLogP0.47
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
trans-ethyl (1R,2R)-2-[(2S)-2-acetamido-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57187213
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid
CID 11160410
cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 13039526
ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate
CID 142540009
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
CID 7006445
ethyl 2-(8-chlorooctyl)cyclopropane-1-carboxylate
CID 139889614

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate (CID 57095228) is cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate is CCOC(=O)[C@H](N)C[C@@H]1C[C@H]1C(=O)OCC.
What is the InChIKey of cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate?
The InChIKey is RGQYQZSXXVRBMQ-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-15-10(13)8-5-7(8)6-9(12)11(14)16-4-2/h7-9H,3-6,12H2,1-2H3/t7-,8+,9+/m0/s1.
What are the key properties of cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 57095228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).