3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C10H17N3O6 — CID 83095827

IUPAC3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-10(18,8(15)16)5-12-9(17)13-2-3-19-4-6(13)7(11)14/h6,18H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyYKYFELYVDCFNBD-UHFFFAOYSA-N
MW275.26 g/mol
LogP-2.28
Rot. Bonds4

About 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 83095827) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID83095827
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-10(18,8(15)16)5-12-9(17)13-2-3-19-4-6(13)7(11)14/h6,18H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyYKYFELYVDCFNBD-UHFFFAOYSA-N
XLogP-2.28
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
CID 83098739
6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
CID 83096416
3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
CID 83096482
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
(E)-4-[(3-carbamoylmorpholine-4-carbonyl)amino]but-2-enoic acid
CID 112746698
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 83098732
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 83095827) is 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)N1CCOCC1C(N)=O)C(=O)O.
What is the InChIKey of 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is YKYFELYVDCFNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-10(18,8(15)16)5-12-9(17)13-2-3-19-4-6(13)7(11)14/h6,18H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 275.26 g/mol, XLogP of -2.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 83095827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).