3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid

C12H22N2O4 — CID 66427686

IUPAC3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCCN(C(=O)CC1CNCCO1)C(C)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-14(9(2)6-12(16)17)11(15)7-10-8-13-4-5-18-10/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyGCNIKBGVZOWDHY-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds6

About 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid

3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid (PubChem CID 66427686) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid
PubChem CID66427686
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid
SMILESCCN(C(=O)CC1CNCCO1)C(C)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-14(9(2)6-12(16)17)11(15)7-10-8-13-4-5-18-10/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyGCNIKBGVZOWDHY-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
4-[(2-morpholin-2-ylacetyl)-propan-2-ylamino]butanoic acid
CID 66428508
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-(2-methoxyethyl)-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 82948787
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
N-methyl-2-morpholin-2-yl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 66428060
N-(cyclopropylmethyl)-N-ethyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119784637
1-morpholin-2-ylbutan-2-one
CID 116586154
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119717401
N-[2-(dimethylamino)propyl]-2-morpholin-2-ylacetamide
CID 66428079

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid (CID 66427686) is 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid is CCN(C(=O)CC1CNCCO1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid?
The InChIKey is GCNIKBGVZOWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-14(9(2)6-12(16)17)11(15)7-10-8-13-4-5-18-10/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid?
3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-morpholin-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 66427686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).