2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid

C11H20N2O5 — CID 66166156

IUPAC2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC1CCCOC1)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-13(6-8-3-2-4-18-7-8)11(17)12-5-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyCOJJBDNZZHYAHF-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.50
Rot. Bonds5

About 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid

2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 66166156) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID66166156
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC1CCCOC1)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-13(6-8-3-2-4-18-7-8)11(17)12-5-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyCOJJBDNZZHYAHF-UHFFFAOYSA-N
XLogP-0.50
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid (CID 66166156) is 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid is CN(CC1CCCOC1)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is COJJBDNZZHYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-13(6-8-3-2-4-18-7-8)11(17)12-5-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid?
2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 66166156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).