2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid

C11H21N3O5 — CID 79070869

IUPAC2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
SMILESCN1CCOC(CNC(=O)NCC(C)(O)C(=O)O)C1
InChIInChI=1S/C11H21N3O5/c1-11(18,9(15)16)7-13-10(17)12-5-8-6-14(2)3-4-19-8/h8,18H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyRPBLCFJKXIXJHZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP-1.55
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid (PubChem CID 79070869) has the molecular formula C11H21N3O5 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
PubChem CID79070869
Molecular FormulaC11H21N3O5
Molecular Weight275.30 g/mol
Exact Mass275.15
IUPAC Name2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
SMILESCN1CCOC(CNC(=O)NCC(C)(O)C(=O)O)C1
InChIInChI=1S/C11H21N3O5/c1-11(18,9(15)16)7-13-10(17)12-5-8-6-14(2)3-4-19-8/h8,18H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyRPBLCFJKXIXJHZ-UHFFFAOYSA-N
XLogP-1.55
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
(2R)-3,3-dimethyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 103928142
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785
2-methyl-5-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686787
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
CID 79182699
4-amino-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 79071157
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid (CID 79070869) is 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid is CN1CCOC(CNC(=O)NCC(C)(O)C(=O)O)C1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is RPBLCFJKXIXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-11(18,9(15)16)7-13-10(17)12-5-8-6-14(2)3-4-19-8/h8,18H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 275.30 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 79070869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).