4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid

C12H24N2O6 — CID 103158774

IUPAC4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCOCCN(CCOC)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C12H24N2O6/c1-18-6-4-14(5-7-19-2)12(17)13-9-10(20-3)8-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXBMDJYVGJJUSPK-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.22
Rot. Bonds11

About 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid

4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid (PubChem CID 103158774) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
PubChem CID103158774
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCOCCN(CCOC)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C12H24N2O6/c1-18-6-4-14(5-7-19-2)12(17)13-9-10(20-3)8-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXBMDJYVGJJUSPK-UHFFFAOYSA-N
XLogP-0.22
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159424
3-methoxy-4-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 103158984
4-[(2-amino-3-methoxypropanoyl)amino]-3-methoxybutanoic acid
CID 103157306
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666
3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
CID 103159129
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
4-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160013
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 103159562
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160140

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid (CID 103158774) is 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid is COCCN(CCOC)C(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid?
The InChIKey is XBMDJYVGJJUSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-18-6-4-14(5-7-19-2)12(17)13-9-10(20-3)8-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid?
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid has a molecular weight of 292.33 g/mol, XLogP of -0.22, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103158774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).