4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid

C10H18N2O4 — CID 61191606

IUPAC4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)NCC1CCCO1
InChIInChI=1S/C10H18N2O4/c13-9(14)4-1-5-11-10(15)12-7-8-3-2-6-16-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
InChIKeyYFWJOGBZFBSTIY-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds6

About 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid

4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid (PubChem CID 61191606) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
PubChem CID61191606
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)NCC1CCCO1
InChIInChI=1S/C10H18N2O4/c13-9(14)4-1-5-11-10(15)12-7-8-3-2-6-16-8/h8H,1-7H2,(H,13,14)(H2,11,12,15)
InChIKeyYFWJOGBZFBSTIY-UHFFFAOYSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
4-(1,4-dioxan-2-ylmethylcarbamoylamino)butanoic acid
CID 61208436
5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 55013418
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
1-[3-(difluoromethoxy)propyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124625820
2-[[2-(oxolan-2-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61191456
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid (CID 61191606) is 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid is O=C(O)CCCNC(=O)NCC1CCCO1.
What is the InChIKey of 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is YFWJOGBZFBSTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-9(14)4-1-5-11-10(15)12-7-8-3-2-6-16-8/h8H,1-7H2,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid?
4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61191606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).