3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid

C13H24N2O4 — CID 122010680

IUPAC3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid
SMILESCC(C)CC1OCCCC1NC(=O)NCCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)8-11-10(4-3-7-19-11)15-13(18)14-6-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyFOIYYKHOWJFTSC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.35
Rot. Bonds6

About 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid

3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid (PubChem CID 122010680) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid
PubChem CID122010680
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid
SMILESCC(C)CC1OCCCC1NC(=O)NCCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-9(2)8-11-10(4-3-7-19-11)15-13(18)14-6-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyFOIYYKHOWJFTSC-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S,3R)-2-ethenyloxan-3-yl]carbamoylamino]butanoic acid
CID 122016567
3-[(4-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 122006845
1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
CID 99786412
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
CID 82728125
1-methyl-N-[2-(2-methylpropyl)oxan-3-yl]-2-oxopyridine-3-carboxamide
CID 136532633
methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate
CID 124851088
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815766
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
CID 122016980
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide
CID 166480159

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid (CID 122010680) is 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid is CC(C)CC1OCCCC1NC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid?
The InChIKey is FOIYYKHOWJFTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)8-11-10(4-3-7-19-11)15-13(18)14-6-5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid?
3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122010680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).