3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid

C12H24N2O4 — CID 60835046

IUPAC3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
SMILESCOCC(C)NC(=O)CN(CCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)14(6-5-12(16)17)7-11(15)13-10(3)8-18-4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyHADQGURSWPGTDP-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.32
Rot. Bonds9

About 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid

3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid (PubChem CID 60835046) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
PubChem CID60835046
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
SMILESCOCC(C)NC(=O)CN(CCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)14(6-5-12(16)17)7-11(15)13-10(3)8-18-4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyHADQGURSWPGTDP-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 54998249
3-[cyclopropyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 54925563
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
2-[2-aminoethyl(pentan-3-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 63764416
4-[[2-(heptan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834905
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
3-[4-methoxybutyl(propan-2-yl)amino]propanoic acid
CID 104648419
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82951079
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
CID 43473540
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methoxypropyl)amino]propanoic acid
CID 82327325
2-[ethyl(3-hydroxypropyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 115666206

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid (CID 60835046) is 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid is COCC(C)NC(=O)CN(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
The InChIKey is HADQGURSWPGTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(2)14(6-5-12(16)17)7-11(15)13-10(3)8-18-4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid?
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 60835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).