5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid

C13H24N2O4 — CID 114115295

IUPAC5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid
SMILESCC(NC(=O)NCCCCC(=O)O)C1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-10(11-5-8-19-9-6-11)15-13(18)14-7-3-2-4-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFFOXKRVKEZKZDR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.36
Rot. Bonds7

About 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid

5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 114115295) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID114115295
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid
SMILESCC(NC(=O)NCCCCC(=O)O)C1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-10(11-5-8-19-9-6-11)15-13(18)14-7-3-2-4-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFFOXKRVKEZKZDR-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic 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

6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
CID 61197551
3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
CID 114115155
1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 124575953
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797662
5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 43533623
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid (CID 114115295) is 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid is CC(NC(=O)NCCCCC(=O)O)C1CCOCC1.
What is the InChIKey of 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is FFOXKRVKEZKZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(11-5-8-19-9-6-11)15-13(18)14-7-3-2-4-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid?
5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 114115295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).