2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid

C13H23N3O4 — CID 64583304

IUPAC2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-10(17)14-12(13(18)19)9-15-3-2-11(8-15)16-4-6-20-7-5-16/h11-12H,2-9H2,1H3,(H,14,17)(H,18,19)
InChIKeyDXEXGWSQBKJQIT-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.02
Rot. Bonds5

About 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid

2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 64583304) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid
PubChem CID64583304
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-10(17)14-12(13(18)19)9-15-3-2-11(8-15)16-4-6-20-7-5-16/h11-12H,2-9H2,1H3,(H,14,17)(H,18,19)
InChIKeyDXEXGWSQBKJQIT-UHFFFAOYSA-N
XLogP-1.02
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]propanoate
CID 7663697
(3S)-3-amino-4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 90919288
Boc-Ala-Ala(morpholino)(morpholino)-OH
CID 166447125
3,3,3-Trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid
CID 103262529
Ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
CID 24730489
Ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
CID 24733365
Methyl 2-acetamido-3-morpholin-4-ylpropanoate
CID 10900436
Ethyl 2-(3-acetamido-4-hydroxypyrrolidin-1-yl)acetate
CID 18669493
2-[(2-Morpholin-4-ylacetyl)amino]propanoic acid
CID 20586174
3-Methoxycarbonyl-5-oxopiperazine-1-carboxylic acid
CID 22727216
2-[1-[2-(1-Acetylpiperazin-2-yl)ethyl]pyrrolidin-1-ium-1-yl]acetic acid
CID 53679891
Ethyl 2-(piperazine-2-carbonylamino)acetate
CID 54250774

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid (CID 64583304) is 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid is CC(=O)NC(CN1CCC(N2CCOCC2)C1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is DXEXGWSQBKJQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-10(17)14-12(13(18)19)9-15-3-2-11(8-15)16-4-6-20-7-5-16/h11-12H,2-9H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid?
2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid has a molecular weight of 285.34 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-morpholin-4-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 64583304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).