2-amino-3-(4-methylmorpholin-2-yl)propanamide

C8H17N3O2 — CID 79172417

IUPAC2-amino-3-(4-methylmorpholin-2-yl)propanamide
SMILESCN1CCOC(CC(N)C(N)=O)C1
InChIInChI=1S/C8H17N3O2/c1-11-2-3-13-6(5-11)4-7(9)8(10)12/h6-7H,2-5,9H2,1H3,(H2,10,12)
InChIKeyHOOIIQLXPFDFNK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.48
Rot. Bonds3

About 2-amino-3-(4-methylmorpholin-2-yl)propanamide

2-amino-3-(4-methylmorpholin-2-yl)propanamide (PubChem CID 79172417) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-amino-3-(4-methylmorpholin-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-methylmorpholin-2-yl)propanamide
PubChem CID79172417
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-amino-3-(4-methylmorpholin-2-yl)propanamide
SMILESCN1CCOC(CC(N)C(N)=O)C1
InChIInChI=1S/C8H17N3O2/c1-11-2-3-13-6(5-11)4-7(9)8(10)12/h6-7H,2-5,9H2,1H3,(H2,10,12)
InChIKeyHOOIIQLXPFDFNK-UHFFFAOYSA-N
XLogP-1.48
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[(4-methylmorpholin-2-yl)methylsulfanyl]propanoic acid
CID 107773505
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
CID 78932018
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N,N-dimethyl-2-(4-methylmorpholin-2-yl)acetamide
CID 143368869
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylmorpholin-2-yl)propanamide?
The IUPAC name of 2-amino-3-(4-methylmorpholin-2-yl)propanamide (CID 79172417) is 2-amino-3-(4-methylmorpholin-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-methylmorpholin-2-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-methylmorpholin-2-yl)propanamide is CN1CCOC(CC(N)C(N)=O)C1.
What is the InChIKey of 2-amino-3-(4-methylmorpholin-2-yl)propanamide?
The InChIKey is HOOIIQLXPFDFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-11-2-3-13-6(5-11)4-7(9)8(10)12/h6-7H,2-5,9H2,1H3,(H2,10,12).
What are the key properties of 2-amino-3-(4-methylmorpholin-2-yl)propanamide?
2-amino-3-(4-methylmorpholin-2-yl)propanamide has a molecular weight of 187.24 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylmorpholin-2-yl)propanamide is sourced from PubChem (CID 79172417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).