2-[cyclopropanecarbonyl(methyl)amino]acetic acid

C7H11NO3 — CID 16778147

IUPAC2-[cyclopropanecarbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC1
InChIInChI=1S/C7H11NO3/c1-8(4-6(9)10)7(11)5-2-3-5/h5H,2-4H2,1H3,(H,9,10)
InChIKeyQSEXRJPSOUALOF-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.06
Rot. Bonds3

About 2-[cyclopropanecarbonyl(methyl)amino]acetic acid

2-[cyclopropanecarbonyl(methyl)amino]acetic acid (PubChem CID 16778147) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(methyl)amino]acetic acid
PubChem CID16778147
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[cyclopropanecarbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC1
InChIInChI=1S/C7H11NO3/c1-8(4-6(9)10)7(11)5-2-3-5/h5H,2-4H2,1H3,(H,9,10)
InChIKeyQSEXRJPSOUALOF-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]acetic acid (CID 16778147) is 2-[cyclopropanecarbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropanecarbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropanecarbonyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1CC1.
What is the InChIKey of 2-[cyclopropanecarbonyl(methyl)amino]acetic acid?
The InChIKey is QSEXRJPSOUALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8(4-6(9)10)7(11)5-2-3-5/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-[cyclopropanecarbonyl(methyl)amino]acetic acid?
2-[cyclopropanecarbonyl(methyl)amino]acetic acid has a molecular weight of 157.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 16778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).