2-[acetyl(cyclohexen-1-yl)amino]acetic acid

C10H15NO3 — CID 139844911

IUPAC2-[acetyl(cyclohexen-1-yl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)C1=CCCCC1
InChIInChI=1S/C10H15NO3/c1-8(12)11(7-10(13)14)9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyLTCFNCKEQIGLLY-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.38
Rot. Bonds3

About 2-[acetyl(cyclohexen-1-yl)amino]acetic acid

2-[acetyl(cyclohexen-1-yl)amino]acetic acid (PubChem CID 139844911) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[acetyl(cyclohexen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(cyclohexen-1-yl)amino]acetic acid
PubChem CID139844911
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[acetyl(cyclohexen-1-yl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)C1=CCCCC1
InChIInChI=1S/C10H15NO3/c1-8(12)11(7-10(13)14)9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyLTCFNCKEQIGLLY-UHFFFAOYSA-N
XLogP1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclohexen-1-yl)amino]acetic acid?
The IUPAC name of 2-[acetyl(cyclohexen-1-yl)amino]acetic acid (CID 139844911) is 2-[acetyl(cyclohexen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(cyclohexen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(cyclohexen-1-yl)amino]acetic acid is CC(=O)N(CC(=O)O)C1=CCCCC1.
What is the InChIKey of 2-[acetyl(cyclohexen-1-yl)amino]acetic acid?
The InChIKey is LTCFNCKEQIGLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8(12)11(7-10(13)14)9-5-3-2-4-6-9/h5H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[acetyl(cyclohexen-1-yl)amino]acetic acid?
2-[acetyl(cyclohexen-1-yl)amino]acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclohexen-1-yl)amino]acetic acid is sourced from PubChem (CID 139844911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).