2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid

C12H21N3O5 — CID 83103120

IUPAC2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
SMILESCCCNC(=O)C1COCCN1C(=O)N(C)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-4-13-11(18)9-8-20-6-5-15(9)12(19)14(2)7-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHCGBWUPVMUZWQJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.65
Rot. Bonds5

About 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid

2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid (PubChem CID 83103120) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
PubChem CID83103120
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
SMILESCCCNC(=O)C1COCCN1C(=O)N(C)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-4-13-11(18)9-8-20-6-5-15(9)12(19)14(2)7-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHCGBWUPVMUZWQJ-UHFFFAOYSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83104272
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
CID 83098648
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid (CID 83103120) is 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid is CCCNC(=O)C1COCCN1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
The InChIKey is HCGBWUPVMUZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-4-13-11(18)9-8-20-6-5-15(9)12(19)14(2)7-10(16)17/h9H,3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid?
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 83103120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).