3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid

C12H22N2O4 — CID 113416503

IUPAC3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1COCCN1C(=O)NC(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-10-7-18-6-5-14(10)12(17)13-9(3)8(2)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyWSROZDRJUIUSPW-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds4

About 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid

3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 113416503) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
PubChem CID113416503
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1COCCN1C(=O)NC(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-10-7-18-6-5-14(10)12(17)13-9(3)8(2)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyWSROZDRJUIUSPW-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 95969405
5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963970
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216843
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid (CID 113416503) is 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid is CCC1COCCN1C(=O)NC(C)C(C)C(=O)O.
What is the InChIKey of 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is WSROZDRJUIUSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-10-7-18-6-5-14(10)12(17)13-9(3)8(2)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 113416503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).