4-(oxan-3-ylcarbamoylamino)butanoic acid

C10H18N2O4 — CID 63361595

IUPAC4-(oxan-3-ylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c13-9(14)4-1-5-11-10(15)12-8-3-2-6-16-7-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
InChIKeyMMFOIJDRAXJZIW-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds5

About 4-(oxan-3-ylcarbamoylamino)butanoic acid

4-(oxan-3-ylcarbamoylamino)butanoic acid (PubChem CID 63361595) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(oxan-3-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(oxan-3-ylcarbamoylamino)butanoic acid
PubChem CID63361595
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(oxan-3-ylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c13-9(14)4-1-5-11-10(15)12-8-3-2-6-16-7-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
InChIKeyMMFOIJDRAXJZIW-UHFFFAOYSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid
CID 66164936
3-(oxan-3-ylamino)propanoic acid
CID 63363556
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
3-[(oxan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 81069079
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid
CID 122014337
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-ylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(oxan-3-ylcarbamoylamino)butanoic acid (CID 63361595) is 4-(oxan-3-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(oxan-3-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(oxan-3-ylcarbamoylamino)butanoic acid is O=C(O)CCCNC(=O)NC1CCCOC1.
What is the InChIKey of 4-(oxan-3-ylcarbamoylamino)butanoic acid?
The InChIKey is MMFOIJDRAXJZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-9(14)4-1-5-11-10(15)12-8-3-2-6-16-7-8/h8H,1-7H2,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(oxan-3-ylcarbamoylamino)butanoic acid?
4-(oxan-3-ylcarbamoylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 63361595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).