2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid

C12H22N2O4 — CID 62820763

IUPAC2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCOCC1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-5-14(12(3,4)10(15)16)11(17)13-6-7-18-8-9(13)2/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyBDSOXFHAELVSKB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds3

About 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62820763) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62820763
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCOCC1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-5-14(12(3,4)10(15)16)11(17)13-6-7-18-8-9(13)2/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyBDSOXFHAELVSKB-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(1,4-oxazepane-4-carbonyl)amino]-2-methylpropanoic acid
CID 62967290
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123412
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
2-amino-2-methyl-1-(3-methylmorpholin-4-yl)pentan-1-one
CID 60848214
2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 65300132
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one
CID 131132260
2-[2-methoxyethyl-(3-methylmorpholine-4-carbonyl)amino]acetic acid
CID 79271907

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid (CID 62820763) is 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)N1CCOCC1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is BDSOXFHAELVSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-5-14(12(3,4)10(15)16)11(17)13-6-7-18-8-9(13)2/h9H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).