2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid

C13H23N3O5 — CID 63832822

IUPAC2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H23N3O5/c17-11(15-9-12(18)19)8-16-13(20)14-6-7-21-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyIOWCSGWQVQUELG-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.16
Rot. Bonds8

About 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 63832822) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID63832822
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H23N3O5/c17-11(15-9-12(18)19)8-16-13(20)14-6-7-21-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyIOWCSGWQVQUELG-UHFFFAOYSA-N
XLogP-0.16
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704
2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 106005063
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664
2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 63828865
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002250

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid (CID 63832822) is 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCCOC1CCCCC1.
What is the InChIKey of 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is IOWCSGWQVQUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c17-11(15-9-12(18)19)8-16-13(20)14-6-7-21-10-4-2-1-3-5-10/h10H,1-9H2,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.16, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 63832822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).