(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid

C12H20N2O6 — CID 63305374

IUPAC(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCCC1COCCN1C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-8-7-20-5-4-14(8)12(18)13-9(11(16)17)6-10(15)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9-/m0/s1
InChIKeyFUSQDNCBPIONJW-GKAPJAKFSA-N
MW288.30 g/mol
LogP-0.18
Rot. Bonds5

About (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 63305374) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
PubChem CID63305374
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCCC1COCCN1C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-8-7-20-5-4-14(8)12(18)13-9(11(16)17)6-10(15)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9-/m0/s1
InChIKeyFUSQDNCBPIONJW-GKAPJAKFSA-N
XLogP-0.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963970
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 95969405
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63304867
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
CID 107841289
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid (CID 63305374) is (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid is CCC1COCCN1C(=O)N[C@@H](CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is FUSQDNCBPIONJW-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-8-7-20-5-4-14(8)12(18)13-9(11(16)17)6-10(15)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 288.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63305374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).