(2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid

C11H20N2O4 — CID 21339319

IUPAC(2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(2)9(10(14)15)12-11(16)13-4-6-17-7-5-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9-/m0/s1
InChIKeyWQOCIQGATLIYQD-IUCAKERBSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds4

About (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid

(2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid (PubChem CID 21339319) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
PubChem CID21339319
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(2)9(10(14)15)12-11(16)13-4-6-17-7-5-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9-/m0/s1
InChIKeyWQOCIQGATLIYQD-IUCAKERBSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid (CID 21339319) is (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid is CC[C@H](C)[C@H](NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
The InChIKey is WQOCIQGATLIYQD-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-8(2)9(10(14)15)12-11(16)13-4-6-17-7-5-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(morpholine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 21339319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).