(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide

C11H22N2O3 — CID 164604387

IUPAC(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCOCC1
InChIInChI=1S/C11H22N2O3/c1-8(10(12)11(14)13-2)16-7-9-3-5-15-6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyNDXFSJIPJIIGQM-SCZZXKLOSA-N
MW230.31 g/mol
LogP-0.11
Rot. Bonds5

About (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide

(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide (PubChem CID 164604387) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide
PubChem CID164604387
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCOCC1
InChIInChI=1S/C11H22N2O3/c1-8(10(12)11(14)13-2)16-7-9-3-5-15-6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyNDXFSJIPJIIGQM-SCZZXKLOSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide?
The IUPAC name of (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide (CID 164604387) is (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCOCC1.
What is the InChIKey of (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide?
The InChIKey is NDXFSJIPJIIGQM-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(10(12)11(14)13-2)16-7-9-3-5-15-6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide?
(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide has a molecular weight of 230.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide is sourced from PubChem (CID 164604387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).