2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid

C13H24N2O4 — CID 65222628

IUPAC2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC1CCCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-5-10(12(16)17)8-14-13(18)15-9-11-6-3-4-7-19-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPGOWCEJPXRXECD-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.36
Rot. Bonds7

About 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid

2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65222628) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65222628
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC1CCCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-5-10(12(16)17)8-14-13(18)15-9-11-6-3-4-7-19-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPGOWCEJPXRXECD-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

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Related Compounds

2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383
3-methyl-2-[(oxolan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218986
3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 55013928
2-[[[methyl(oxan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223731
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid
CID 43631760
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65226837
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
CID 65226271
4-methylsulfanyl-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 54940444
2-(oxan-2-ylmethylamino)hexanoic acid
CID 103243520
4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide
CID 80543915

Frequently Asked Questions

What is the IUPAC name of 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid (CID 65222628) is 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCC1CCCCO1)C(=O)O.
What is the InChIKey of 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is PGOWCEJPXRXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-5-10(12(16)17)8-14-13(18)15-9-11-6-3-4-7-19-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
2-[(oxan-2-ylmethylcarbamoylamino)methyl]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 2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65222628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).