2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid

C9H16N2O4 — CID 43444981

IUPAC2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C9H16N2O4/c12-8(9(13)14)10-2-1-3-11-4-6-15-7-5-11/h1-7H2,(H,10,12)(H,13,14)
InChIKeyWXMJMNGIQLCMIT-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.09
Rot. Bonds4

About 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid

2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid (PubChem CID 43444981) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
PubChem CID43444981
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C9H16N2O4/c12-8(9(13)14)10-2-1-3-11-4-6-15-7-5-11/h1-7H2,(H,10,12)(H,13,14)
InChIKeyWXMJMNGIQLCMIT-UHFFFAOYSA-N
XLogP-1.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid (CID 43444981) is 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid is O=C(O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid?
The InChIKey is WXMJMNGIQLCMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-8(9(13)14)10-2-1-3-11-4-6-15-7-5-11/h1-7H2,(H,10,12)(H,13,14).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid?
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid has a molecular weight of 216.24 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid is sourced from PubChem (CID 43444981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).