3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid

C9H16N2O5 — CID 83096482

IUPAC3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-9(15,8(13)14)5-11-2-3-16-4-6(11)7(10)12/h6,15H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyDEYSVLHNLMJLLB-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.99
Rot. Bonds4

About 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid

3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 83096482) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID83096482
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-9(15,8(13)14)5-11-2-3-16-4-6(11)7(10)12/h6,15H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyDEYSVLHNLMJLLB-UHFFFAOYSA-N
XLogP-1.99
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
4-hexylmorpholine-3-carboxamide
CID 174697838
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 83095808
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
4-[(3-methylcyclobutyl)methyl]morpholine-3-carboxamide
CID 123511667
4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
CID 83096042
4-(3-cyanopropyl)morpholine-3-carboxamide
CID 83093014
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
4-[2-oxo-2-(oxolan-3-yl)ethyl]morpholine-3-carboxamide
CID 104751036
N-ethyl-4-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104052
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid (CID 83096482) is 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid is CC(O)(CN1CCOCC1C(N)=O)C(=O)O.
What is the InChIKey of 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is DEYSVLHNLMJLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-9(15,8(13)14)5-11-2-3-16-4-6(11)7(10)12/h6,15H,2-5H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid?
3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 83096482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).