2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid

C10H19N3O3 — CID 123703393

IUPAC2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid
SMILESCC1CCC(NC(=O)NC(N)C(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-6-2-4-7(5-3-6)12-10(16)13-8(11)9(14)15/h6-8H,2-5,11H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyJLFQZMOYFVHABF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.23
Rot. Bonds3

About 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid

2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid (PubChem CID 123703393) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid
PubChem CID123703393
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid
SMILESCC1CCC(NC(=O)NC(N)C(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-6-2-4-7(5-3-6)12-10(16)13-8(11)9(14)15/h6-8H,2-5,11H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyJLFQZMOYFVHABF-UHFFFAOYSA-N
XLogP0.23
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid?
The IUPAC name of 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid (CID 123703393) is 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid is CC1CCC(NC(=O)NC(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid?
The InChIKey is JLFQZMOYFVHABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-6-2-4-7(5-3-6)12-10(16)13-8(11)9(14)15/h6-8H,2-5,11H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid?
2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(4-methylcyclohexyl)carbamoylamino]acetic acid is sourced from PubChem (CID 123703393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).