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

C11H20N2O5 — CID 61436233

IUPAC(2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC1CCCCO1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-13(6-8-4-2-3-5-18-8)11(17)12-9(7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyXMMNCUOCEOVHMQ-GKAPJAKFSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds5

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

(2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 61436233) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID61436233
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC1CCCCO1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-13(6-8-4-2-3-5-18-8)11(17)12-9(7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyXMMNCUOCEOVHMQ-GKAPJAKFSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid (CID 61436233) is (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid is CN(CC1CCCCO1)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is XMMNCUOCEOVHMQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-13(6-8-4-2-3-5-18-8)11(17)12-9(7-14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61436233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).