2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid

C10H19N3O4 — CID 107440392

IUPAC2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
SMILESCN1CCOC(CN(CC(N)=O)CC(=O)O)C1
InChIInChI=1S/C10H19N3O4/c1-12-2-3-17-8(4-12)5-13(6-9(11)14)7-10(15)16/h8H,2-7H2,1H3,(H2,11,14)(H,15,16)
InChIKeyDMUGSBVYHITFIR-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.81
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid (PubChem CID 107440392) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
PubChem CID107440392
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
SMILESCN1CCOC(CN(CC(N)=O)CC(=O)O)C1
InChIInChI=1S/C10H19N3O4/c1-12-2-3-17-8(4-12)5-13(6-9(11)14)7-10(15)16/h8H,2-7H2,1H3,(H2,11,14)(H,15,16)
InChIKeyDMUGSBVYHITFIR-UHFFFAOYSA-N
XLogP-1.81
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420
2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 79182955
2-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl-[[(2R)-4-methylmorpholin-2-yl]methyl]amino]acetamide
CID 129339666
2-[[(2S)-4-methylmorpholin-2-yl]methyl-[(5-methyl-2-pyridinyl)methyl]amino]acetamide
CID 129330485
2-[1-benzofuran-3-ylmethyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128969840
2-[1-benzofuran-3-ylmethyl-[[(2R)-4-methylmorpholin-2-yl]methyl]amino]acetamide
CID 129333096
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
2-[(2-cyclohexyloxyacetyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128970226
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
trans-(1S,2S)-N-(2-amino-2-oxoethyl)-2-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 129332929
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid (CID 107440392) is 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid is CN1CCOC(CN(CC(N)=O)CC(=O)O)C1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid?
The InChIKey is DMUGSBVYHITFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-12-2-3-17-8(4-12)5-13(6-9(11)14)7-10(15)16/h8H,2-7H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107440392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).