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

C12H21N3O6 — CID 107840814

IUPAC4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-13-10(17)8-7-21-6-5-15(8)12(20)14-4-3-9(16)11(18)19/h8-9,16H,2-7H2,1H3,(H,13,17)(H,14,20)(H,18,19)
InChIKeyPFJRJNLUVMKEQA-UHFFFAOYSA-N
MW303.31 g/mol
LogP-1.63
Rot. Bonds6

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

4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 107840814) has the molecular formula C12H21N3O6 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID107840814
Molecular FormulaC12H21N3O6
Molecular Weight303.31 g/mol
Exact Mass303.14
IUPAC Name4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCCNC(=O)C1COCCN1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-13-10(17)8-7-21-6-5-15(8)12(20)14-4-3-9(16)11(18)19/h8-9,16H,2-7H2,1H3,(H,13,17)(H,14,20)(H,18,19)
InChIKeyPFJRJNLUVMKEQA-UHFFFAOYSA-N
XLogP-1.63
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
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
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
CID 106110427
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756
(2S)-2-hydroxy-3-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 107840822
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]pent-4-enoic acid
CID 83104278
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid (CID 107840814) is 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid is CCNC(=O)C1COCCN1C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is PFJRJNLUVMKEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-2-13-10(17)8-7-21-6-5-15(8)12(20)14-4-3-9(16)11(18)19/h8-9,16H,2-7H2,1H3,(H,13,17)(H,14,20)(H,18,19).
What are the key properties of 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid?
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 303.31 g/mol, XLogP of -1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).