2-(dipropylcarbamoylamino)-3-methoxypropanoic acid

C11H22N2O4 — CID 81084585

IUPAC2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
SMILESCCCN(CCC)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-13(7-5-2)11(16)12-9(8-17-3)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLOCKOSGKRLOIKZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds8

About 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid

2-(dipropylcarbamoylamino)-3-methoxypropanoic acid (PubChem CID 81084585) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
PubChem CID81084585
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
SMILESCCCN(CCC)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-13(7-5-2)11(16)12-9(8-17-3)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLOCKOSGKRLOIKZ-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
CID 102995572
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81085766
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid?
The IUPAC name of 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid (CID 81084585) is 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid is CCCN(CCC)C(=O)NC(COC)C(=O)O.
What is the InChIKey of 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid?
The InChIKey is LOCKOSGKRLOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-6-13(7-5-2)11(16)12-9(8-17-3)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid?
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylcarbamoylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 81084585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).