2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid

C13H24N2O6 — CID 114950961

IUPAC2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N2O6/c1-14(10-13(19)3-6-21-7-4-13)12(18)15(5-8-20-2)9-11(16)17/h19H,3-10H2,1-2H3,(H,16,17)
InChIKeyHMKJKUVRFQMUED-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.39
Rot. Bonds7

About 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid

2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 114950961) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID114950961
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N2O6/c1-14(10-13(19)3-6-21-7-4-13)12(18)15(5-8-20-2)9-11(16)17/h19H,3-10H2,1-2H3,(H,16,17)
InChIKeyHMKJKUVRFQMUED-UHFFFAOYSA-N
XLogP-0.39
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 105419766
3-[ethyl-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]propanoic acid
CID 114950898
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 79271648
4-[[2-methoxyethyl(methyl)amino]methyl]oxane-4-carboxylic acid
CID 62392063
2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
CID 79272097
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 114951180
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (CID 114950961) is 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is HMKJKUVRFQMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-14(10-13(19)3-6-21-7-4-13)12(18)15(5-8-20-2)9-11(16)17/h19H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 304.34 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 114950961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).