5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid

C12H24N2O5 — CID 114101270

IUPAC5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid
SMILESCOCC(CNC(=O)NC(C)CCCC(=O)O)OC
InChIInChI=1S/C12H24N2O5/c1-9(5-4-6-11(15)16)14-12(17)13-7-10(19-3)8-18-2/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyDAFSNZLFQOVIGB-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.59
Rot. Bonds10

About 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid

5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid (PubChem CID 114101270) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid
PubChem CID114101270
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid
SMILESCOCC(CNC(=O)NC(C)CCCC(=O)O)OC
InChIInChI=1S/C12H24N2O5/c1-9(5-4-6-11(15)16)14-12(17)13-7-10(19-3)8-18-2/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyDAFSNZLFQOVIGB-UHFFFAOYSA-N
XLogP0.59
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic 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

5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
5-(2-phenylpropylcarbamoylamino)hexanoic acid
CID 104592008
3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 82846283
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 65048026
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-(cyclobutylmethylcarbamoylamino)hexanoic acid
CID 82846581
2-(2,3-dimethoxypropylcarbamoylamino)pent-4-enoic acid
CID 114101302
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid
CID 82845189

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid (CID 114101270) is 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid is COCC(CNC(=O)NC(C)CCCC(=O)O)OC.
What is the InChIKey of 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid?
The InChIKey is DAFSNZLFQOVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-9(5-4-6-11(15)16)14-12(17)13-7-10(19-3)8-18-2/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid?
5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 114101270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).