2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid

C9H16N2O5 — CID 66173250

IUPAC2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-9(15,7(12)13)6-10-8(14)11-2-4-16-5-3-11/h15H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyJXELFBVEGHCAMH-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.14
Rot. Bonds3

About 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid

2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid (PubChem CID 66173250) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
PubChem CID66173250
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-9(15,7(12)13)6-10-8(14)11-2-4-16-5-3-11/h15H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyJXELFBVEGHCAMH-UHFFFAOYSA-N
XLogP-1.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 66174891
2-hydroxy-2-methyl-3-(morpholin-4-ylcarbamoylamino)propanoic acid
CID 83020408
N-(5-amino-2,2-dimethylpentyl)morpholine-4-carboxamide
CID 106141337
N-(5-hydroxy-2,2-dimethylpentyl)morpholine-4-carboxamide
CID 103896247
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66177207
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
N-(4-hydroxy-2,2-dimethylbutyl)morpholine-4-carboxamide
CID 103713760
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid (CID 66173250) is 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid is CC(O)(CNC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid?
The InChIKey is JXELFBVEGHCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-9(15,7(12)13)6-10-8(14)11-2-4-16-5-3-11/h15H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid?
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 66173250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).