3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid

C12H21N3O6 — CID 106110427

IUPAC3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-3-13-10(16)8-7-21-5-4-15(8)12(19)14-6-9(20-2)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyVORDVKKFROKCKD-UHFFFAOYSA-N
MW303.32 g/mol
LogP-1.37
Rot. Bonds6

About 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid

3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid (PubChem CID 106110427) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
PubChem CID106110427
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-3-13-10(16)8-7-21-5-4-15(8)12(19)14-6-9(20-2)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyVORDVKKFROKCKD-UHFFFAOYSA-N
XLogP-1.37
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]pent-4-enoic acid
CID 83104278
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 107840822
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104262
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid (CID 106110427) is 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid is CCNC(=O)C1COCCN1C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid?
The InChIKey is VORDVKKFROKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-3-13-10(16)8-7-21-5-4-15(8)12(19)14-6-9(20-2)11(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid?
3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid has a molecular weight of 303.32 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106110427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).