(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid

C11H20N2O5 — CID 107838466

IUPAC(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1CN(C(=O)NCC[C@H](O)C(=O)O)C(C)CO1
InChIInChI=1S/C11H20N2O5/c1-7-6-18-8(2)5-13(7)11(17)12-4-3-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyOVTNVODITIJBMC-HACHORDNSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds4

About (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107838466) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107838466
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1CN(C(=O)NCC[C@H](O)C(=O)O)C(C)CO1
InChIInChI=1S/C11H20N2O5/c1-7-6-18-8(2)5-13(7)11(17)12-4-3-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyOVTNVODITIJBMC-HACHORDNSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-(morpholine-4-carbonylamino)butanoic acid
CID 67154824
2-Amino-4-(morpholine-4-carbonylamino)butanoic acid
CID 67154827
(2S)-2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoic acid
CID 68042364
2-[[Methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoic acid
CID 77399476
4-[[(3-Ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 88302213
4-amino-4-[(2S)-2-methyl-5-oxomorpholin-4-yl]butanoic acid
CID 174676350
4-[Methyl(3-morpholin-4-ylpropylcarbamoyl)amino]butanoic acid
CID 43168497
4-[(3-Propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 54989721
3-[(3-Propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 54989772
2-[(3-Propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 54989773
4-[(3-Ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 54989921
3-[(3-Ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 54990017

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid (CID 107838466) is (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid is CC1CN(C(=O)NCC[C@H](O)C(=O)O)C(C)CO1.
What is the InChIKey of (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is OVTNVODITIJBMC-HACHORDNSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7-6-18-8(2)5-13(7)11(17)12-4-3-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).