3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid

C12H20N2O4 — CID 60839193

IUPAC3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)N1CCOCC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-11(13-5-7-18-8-6-13)9-14(10-1-2-10)4-3-12(16)17/h10H,1-9H2,(H,16,17)
InChIKeyWECSGBJNIWSPEO-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.22
Rot. Bonds6

About 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid

3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid (PubChem CID 60839193) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid
PubChem CID60839193
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)N1CCOCC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-11(13-5-7-18-8-6-13)9-14(10-1-2-10)4-3-12(16)17/h10H,1-9H2,(H,16,17)
InChIKeyWECSGBJNIWSPEO-UHFFFAOYSA-N
XLogP-0.22
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-1-morpholin-4-ylethanone
CID 60774443
2-[2-aminoethyl(cyclopropyl)amino]-1-morpholin-4-ylethanone
CID 61349753
2-[cyclopropyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 60834823
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 64850618
4-[cyclobutyl(3-hydroxypropyl)amino]-1-morpholin-4-ylbutan-1-one
CID 102858461
3-[cyclopropyl-[4-(oxan-4-yl)butyl]amino]propanoic acid
CID 114191532
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
CID 46479991
2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone
CID 43460799
3-[cyclopropyl(2,3-dichloroprop-2-enyl)amino]propanoic acid
CID 79172969
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
2-[cyclopropyl(3-methylbutyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 47025083

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid (CID 60839193) is 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid is O=C(O)CCN(CC(=O)N1CCOCC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid?
The InChIKey is WECSGBJNIWSPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(13-5-7-18-8-6-13)9-14(10-1-2-10)4-3-12(16)17/h10H,1-9H2,(H,16,17).
What are the key properties of 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid?
3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid is sourced from PubChem (CID 60839193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).