methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate

C8H13NO3 — CID 43404745

IUPACmethyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CC1C
InChIInChI=1S/C8H13NO3/c1-5-3-6(5)8(11)9-4-7(10)12-2/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyJBNRBHGCTACKQS-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.07
Rot. Bonds3

About methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate

methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate (PubChem CID 43404745) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate
PubChem CID43404745
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CC1C
InChIInChI=1S/C8H13NO3/c1-5-3-6(5)8(11)9-4-7(10)12-2/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyJBNRBHGCTACKQS-UHFFFAOYSA-N
XLogP-0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate (CID 43404745) is methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate is COC(=O)CNC(=O)C1CC1C.
What is the InChIKey of methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate?
The InChIKey is JBNRBHGCTACKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5-3-6(5)8(11)9-4-7(10)12-2/h5-6H,3-4H2,1-2H3,(H,9,11).
What are the key properties of methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate?
methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate has a molecular weight of 171.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate is sourced from PubChem (CID 43404745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).