2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid

C11H20N2O4 — CID 106110688

IUPAC2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCC1(C)CCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(4-3-5-11)7-13-10(16)12-6-8(17-2)9(14)15/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyQAPAMSJJGIJQQF-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.58
Rot. Bonds6

About 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid

2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid (PubChem CID 106110688) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid
PubChem CID106110688
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCC1(C)CCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(4-3-5-11)7-13-10(16)12-6-8(17-2)9(14)15/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyQAPAMSJJGIJQQF-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]propanoic acid
CID 114144739
2-methoxy-3-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
CID 106110254
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-methyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735098
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
3-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144770
2-methoxy-3-(thiolan-2-ylmethylcarbamoylamino)propanoic acid
CID 106110354
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193
3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
CID 106109550

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid (CID 106110688) is 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid is COC(CNC(=O)NCC1(C)CCC1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid?
The InChIKey is QAPAMSJJGIJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(4-3-5-11)7-13-10(16)12-6-8(17-2)9(14)15/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid?
2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106110688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).