2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid

C13H24N4O4 — CID 79083458

IUPAC2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CCOC(CNC(=O)N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C13H24N4O4/c1-15-6-7-21-11(9-15)8-14-13(20)17-4-2-16(3-5-17)10-12(18)19/h11H,2-10H2,1H3,(H,14,20)(H,18,19)
InChIKeyGSOHABBNKPINDT-UHFFFAOYSA-N
MW300.36 g/mol
LogP-1.27
Rot. Bonds4

About 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid

2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid (PubChem CID 79083458) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
PubChem CID79083458
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CCOC(CNC(=O)N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C13H24N4O4/c1-15-6-7-21-11(9-15)8-14-13(20)17-4-2-16(3-5-17)10-12(18)19/h11H,2-10H2,1H3,(H,14,20)(H,18,19)
InChIKeyGSOHABBNKPINDT-UHFFFAOYSA-N
XLogP-1.27
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
2-[4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823597
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79360162
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79072248
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 104598338
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid (CID 79083458) is 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid is CN1CCOC(CNC(=O)N2CCN(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is GSOHABBNKPINDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-15-6-7-21-11(9-15)8-14-13(20)17-4-2-16(3-5-17)10-12(18)19/h11H,2-10H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 79083458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).