2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid

C12H22N2O4 — CID 113498344

IUPAC2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
SMILESCCC(NC(=O)NOCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O4/c1-2-10(9-6-4-3-5-7-9)13-12(17)14-18-8-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyJBZLJUFUUSZIPY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.66
Rot. Bonds6

About 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid

2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid (PubChem CID 113498344) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
PubChem CID113498344
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
SMILESCCC(NC(=O)NOCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O4/c1-2-10(9-6-4-3-5-7-9)13-12(17)14-18-8-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyJBZLJUFUUSZIPY-UHFFFAOYSA-N
XLogP1.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
1-amino-3-(1-cyclopropylpropyl)urea
CID 130727962
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
1-(1-cyclopropylpropyl)-3-propan-2-ylurea
CID 68521863
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
CID 62406894
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
2-(1-cyclohexylpropylsulfamoyl)acetic acid
CID 62405233
1-cyclohexylpropylthiourea
CID 62407553
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid?
The IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid (CID 113498344) is 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid.
What is the SMILES notation for 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid?
The canonical SMILES for 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid is CCC(NC(=O)NOCC(=O)O)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid?
The InChIKey is JBZLJUFUUSZIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-10(9-6-4-3-5-7-9)13-12(17)14-18-8-11(15)16/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid?
2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid is sourced from PubChem (CID 113498344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).