4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid

C10H18N2O4 — CID 62846931

IUPAC4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
SMILESCNC(C)(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-10(2,11-3)9(15)12-4-5-16-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)
InChIKeySQSFROXYBXANOP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.70
Rot. Bonds3

About 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid

4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid (PubChem CID 62846931) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
PubChem CID62846931
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
SMILESCNC(C)(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-10(2,11-3)9(15)12-4-5-16-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)
InChIKeySQSFROXYBXANOP-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 114111577
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548
ethane;2-methyl-2-(methylamino)-1-morpholin-4-ylpropan-1-one
CID 168940917
4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63719521
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 119358140
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
CID 119239024
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one
CID 94878561
(2S)-4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholine-2-carboxylic acid
CID 125150978

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid (CID 62846931) is 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid is CNC(C)(C)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is SQSFROXYBXANOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,11-3)9(15)12-4-5-16-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid?
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 62846931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).