2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid

C8H14N2O3 — CID 130620105

IUPAC2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
SMILESNC1CCCC(NC(=O)C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c9-5-2-1-3-6(4-5)10-7(11)8(12)13/h5-6H,1-4,9H2,(H,10,11)(H,12,13)
InChIKeyRONYGOQQJGZENC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.54
Rot. Bonds1

About 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid

2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid (PubChem CID 130620105) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
PubChem CID130620105
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
SMILESNC1CCCC(NC(=O)C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c9-5-2-1-3-6(4-5)10-7(11)8(12)13/h5-6H,1-4,9H2,(H,10,11)(H,12,13)
InChIKeyRONYGOQQJGZENC-UHFFFAOYSA-N
XLogP-0.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid (CID 130620105) is 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid is NC1CCCC(NC(=O)C(=O)O)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid?
The InChIKey is RONYGOQQJGZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-5-2-1-3-6(4-5)10-7(11)8(12)13/h5-6H,1-4,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid?
2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 130620105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).