cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid

C11H18N2O5 — CID 93378992

IUPACcis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-13(6-9(14)12-3-4-18-2)10(15)7-5-8(7)11(16)17/h7-8H,3-6H2,1-2H3,(H,12,14)(H,16,17)/t7-,8+/m1/s1
InChIKeyAKXSWHVRZCUEFR-SFYZADRCSA-N
MW258.27 g/mol
LogP-1.07
Rot. Bonds7

About cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93378992) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93378992
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namecis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-13(6-9(14)12-3-4-18-2)10(15)7-5-8(7)11(16)17/h7-8H,3-6H2,1-2H3,(H,12,14)(H,16,17)/t7-,8+/m1/s1
InChIKeyAKXSWHVRZCUEFR-SFYZADRCSA-N
XLogP-1.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875764
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93344016
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120354
2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 113219210
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 79610319
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210810
4-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66250254
5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
CID 55053936

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 93378992) is cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid is COCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is AKXSWHVRZCUEFR-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-13(6-9(14)12-3-4-18-2)10(15)7-5-8(7)11(16)17/h7-8H,3-6H2,1-2H3,(H,12,14)(H,16,17)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93378992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).