4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid

C11H19N3O5 — CID 106097979

IUPAC4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
SMILESCC(C)(CC(N)=O)NC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H19N3O5/c1-11(2,5-8(12)15)13-10(18)14-3-4-19-6-7(14)9(16)17/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyRVCRZQQHUMWVBU-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.86
Rot. Bonds4

About 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid

4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid (PubChem CID 106097979) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
PubChem CID106097979
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
SMILESCC(C)(CC(N)=O)NC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H19N3O5/c1-11(2,5-8(12)15)13-10(18)14-3-4-19-6-7(14)9(16)17/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyRVCRZQQHUMWVBU-UHFFFAOYSA-N
XLogP-0.86
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 106097897
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 106097890
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 113364388
4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 114116894
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid
CID 114388503
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
CID 120521645
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid (CID 106097979) is 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid is CC(C)(CC(N)=O)NC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid?
The InChIKey is RVCRZQQHUMWVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(2,5-8(12)15)13-10(18)14-3-4-19-6-7(14)9(16)17/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid?
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 106097979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).