3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid

C11H21N3O4 — CID 114242234

IUPAC3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
SMILESCCCNC(=O)C1COCCN1C(CN)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-2-3-13-10(15)9-7-18-5-4-14(9)8(6-12)11(16)17/h8-9H,2-7,12H2,1H3,(H,13,15)(H,16,17)
InChIKeyGFIQJZABJRGKAM-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.37
Rot. Bonds6

About 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid

3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid (PubChem CID 114242234) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
PubChem CID114242234
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
SMILESCCCNC(=O)C1COCCN1C(CN)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-2-3-13-10(15)9-7-18-5-4-14(9)8(6-12)11(16)17/h8-9H,2-7,12H2,1H3,(H,13,15)(H,16,17)
InChIKeyGFIQJZABJRGKAM-UHFFFAOYSA-N
XLogP-1.37
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83103248
4-(2-amino-1-pyridin-4-ylethyl)-N-propylmorpholine-3-carboxamide
CID 83097966
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83099471
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid?
The IUPAC name of 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid (CID 114242234) is 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid is CCCNC(=O)C1COCCN1C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid?
The InChIKey is GFIQJZABJRGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-2-3-13-10(15)9-7-18-5-4-14(9)8(6-12)11(16)17/h8-9H,2-7,12H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid?
3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid has a molecular weight of 259.31 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-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 114242234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).