2-(3-morpholin-4-ylpropanoylamino)acetic acid

C9H16N2O4 — CID 110834638

IUPAC2-(3-morpholin-4-ylpropanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CCN1CCOCC1
InChIInChI=1S/C9H16N2O4/c12-8(10-7-9(13)14)1-2-11-3-5-15-6-4-11/h1-7H2,(H,10,12)(H,13,14)
InChIKeyHOHZFONRBHAXDB-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.09
Rot. Bonds5

About 2-(3-morpholin-4-ylpropanoylamino)acetic acid

2-(3-morpholin-4-ylpropanoylamino)acetic acid (PubChem CID 110834638) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropanoylamino)acetic acid
PubChem CID110834638
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-(3-morpholin-4-ylpropanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CCN1CCOCC1
InChIInChI=1S/C9H16N2O4/c12-8(10-7-9(13)14)1-2-11-3-5-15-6-4-11/h1-7H2,(H,10,12)(H,13,14)
InChIKeyHOHZFONRBHAXDB-UHFFFAOYSA-N
XLogP-1.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(azepan-1-yl)propanoylamino]acetic acid
CID 52983762
2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid
CID 70812112
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 39255217
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
2-[[(E)-4-(2-morpholin-4-ylethylamino)-4-oxobut-2-enoyl]amino]acetic acid
CID 100926424
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
3-morpholin-4-ylpropanoyl chloride
CID 18967893

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropanoylamino)acetic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropanoylamino)acetic acid (CID 110834638) is 2-(3-morpholin-4-ylpropanoylamino)acetic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropanoylamino)acetic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropanoylamino)acetic acid is O=C(O)CNC(=O)CCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropanoylamino)acetic acid?
The InChIKey is HOHZFONRBHAXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-8(10-7-9(13)14)1-2-11-3-5-15-6-4-11/h1-7H2,(H,10,12)(H,13,14).
What are the key properties of 2-(3-morpholin-4-ylpropanoylamino)acetic acid?
2-(3-morpholin-4-ylpropanoylamino)acetic acid has a molecular weight of 216.24 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropanoylamino)acetic acid is sourced from PubChem (CID 110834638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).