1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid

C13H26N2O7 — CID 169042173

IUPAC1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid
SMILESCC(COCCOCC(C)OCC(C)NC(=O)O)NC(=O)O
InChIInChI=1S/C13H26N2O7/c1-9(14-12(16)17)6-20-4-5-21-8-11(3)22-7-10(2)15-13(18)19/h9-11,14-15H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGRJHCBYIAXENIT-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.74
Rot. Bonds12

About 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid

1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid (PubChem CID 169042173) has the molecular formula C13H26N2O7 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid
PubChem CID169042173
Molecular FormulaC13H26N2O7
Molecular Weight322.36 g/mol
Exact Mass322.17
IUPAC Name1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid
SMILESCC(COCCOCC(C)OCC(C)NC(=O)O)NC(=O)O
InChIInChI=1S/C13H26N2O7/c1-9(14-12(16)17)6-20-4-5-21-8-11(3)22-7-10(2)15-13(18)19/h9-11,14-15H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGRJHCBYIAXENIT-UHFFFAOYSA-N
XLogP0.74
TPSA126.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide
CID 158039615
2-[1-(1-decoxypropan-2-yloxy)propan-2-ylamino]acetic acid
CID 71410059
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
N-[1-[2-(2-aminopropoxy)ethoxy]propan-2-yl]acetamide
CID 58153232
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane
CID 158223796
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
CID 146452761
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
1-[1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropane
CID 118672569
4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide
CID 59248185
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
ethyl 2-[1-[2,3-bis[2-[(2-ethoxy-2-oxoacetyl)amino]propoxy]propoxy]propan-2-ylamino]-2-oxoacetate
CID 169008227

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid?
The IUPAC name of 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid (CID 169042173) is 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid is CC(COCCOCC(C)OCC(C)NC(=O)O)NC(=O)O.
What is the InChIKey of 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid?
The InChIKey is GRJHCBYIAXENIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O7/c1-9(14-12(16)17)6-20-4-5-21-8-11(3)22-7-10(2)15-13(18)19/h9-11,14-15H,4-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid?
1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid has a molecular weight of 322.36 g/mol, XLogP of 0.74, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid is sourced from PubChem (CID 169042173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).