cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid

C11H17NO5 — CID 93378256

IUPACcis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H17NO5/c1-3-4-12(6-9(13)17-2)10(14)7-5-8(7)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)/t7-,8+/m1/s1
InChIKeyPAFRTPAVOXLVNW-SFYZADRCSA-N
MW243.26 g/mol
LogP0.12
Rot. Bonds6

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

cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93378256) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93378256
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namecis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H17NO5/c1-3-4-12(6-9(13)17-2)10(14)7-5-8(7)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)/t7-,8+/m1/s1
InChIKeyPAFRTPAVOXLVNW-SFYZADRCSA-N
XLogP0.12
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60949936
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969
2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948916
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 2-[(5-methyloxolane-2-carbonyl)-propylamino]acetate
CID 80970947
methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate
CID 54871877
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
(1S,6R)-6-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962318
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-N-propan-2-yl-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109130701

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid (CID 93378256) is cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid is CCCN(CC(=O)OC)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PAFRTPAVOXLVNW-SFYZADRCSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-4-12(6-9(13)17-2)10(14)7-5-8(7)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93378256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).