2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid

C9H17N3O5 — CID 83020408

IUPAC2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid
SMILESCC(O)(CNC(=O)NN1CCOCC1)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-9(16,7(13)14)6-10-8(15)11-12-2-4-17-5-3-12/h16H,2-6H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyUVVOQRAARYNLME-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.63
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid

2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid (PubChem CID 83020408) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid
PubChem CID83020408
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid
SMILESCC(O)(CNC(=O)NN1CCOCC1)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-9(16,7(13)14)6-10-8(15)11-12-2-4-17-5-3-12/h16H,2-6H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyUVVOQRAARYNLME-UHFFFAOYSA-N
XLogP-1.63
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic 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

2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019
7-(morpholin-4-ylcarbamoylamino)heptanoic acid
CID 83020507
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66177207
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
1-benzyl-3-morpholin-4-ylurea
CID 107653208
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid (CID 83020408) is 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid is CC(O)(CNC(=O)NN1CCOCC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid?
The InChIKey is UVVOQRAARYNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-9(16,7(13)14)6-10-8(15)11-12-2-4-17-5-3-12/h16H,2-6H2,1H3,(H,13,14)(H2,10,11,15).
What are the key properties of 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 83020408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).