(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid

C12H22N2O5 — CID 107839512

IUPAC(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)NCC[C@H](O)C(=O)O)CC(C)(C)O1
InChIInChI=1S/C12H22N2O5/c1-8-6-14(7-12(2,3)19-8)11(18)13-5-4-9(15)10(16)17/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)/t8?,9-/m0/s1
InChIKeyRJDKGKXOQKHTTK-GKAPJAKFSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds4

About (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid

(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 107839512) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID107839512
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)NCC[C@H](O)C(=O)O)CC(C)(C)O1
InChIInChI=1S/C12H22N2O5/c1-8-6-14(7-12(2,3)19-8)11(18)13-5-4-9(15)10(16)17/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)/t8?,9-/m0/s1
InChIKeyRJDKGKXOQKHTTK-GKAPJAKFSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838552
(2R)-3-hydroxy-2-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 80756754
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
(2S)-4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007751
(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95137726
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
(6S)-N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 124612477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid (CID 107839512) is (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid is CC1CN(C(=O)NCC[C@H](O)C(=O)O)CC(C)(C)O1.
What is the InChIKey of (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is RJDKGKXOQKHTTK-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8-6-14(7-12(2,3)19-8)11(18)13-5-4-9(15)10(16)17/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107839512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).