cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid

C11H18N2O4 — CID 93377032

IUPACcis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-4-12-9(14)6-13(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
InChIKeyZCDQKLPJOMBNEM-SFYZADRCSA-N
MW242.27 g/mol
LogP-0.31
Rot. Bonds6

About cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93377032) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93377032
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namecis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-4-12-9(14)6-13(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
InChIKeyZCDQKLPJOMBNEM-SFYZADRCSA-N
XLogP-0.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378992
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875764
N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxamide
CID 55230155
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93344016
N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
CID 66266600
3-amino-N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 55116667
N,3-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide
CID 102778464
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498
2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978414

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 93377032) is cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid is CCCNC(=O)CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZCDQKLPJOMBNEM-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-4-12-9(14)6-13(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-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93377032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).