3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid

C9H18N2O4 — CID 61181719

IUPAC3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCOCC(C)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-7(6-15-3)10-9(14)11(2)5-4-8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyGBXPIOMBDOKYEJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.14
Rot. Bonds6

About 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid

3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid (PubChem CID 61181719) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
PubChem CID61181719
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCOCC(C)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-7(6-15-3)10-9(14)11(2)5-4-8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyGBXPIOMBDOKYEJ-UHFFFAOYSA-N
XLogP0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835046
3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
CID 61202238
3-[N-(1-methoxypropan-2-ylcarbamoyl)-2-methylanilino]propanoic acid
CID 61183120
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
1-[3-(4-chlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-1-methylurea
CID 119068006
3-[but-3-yn-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 114418466
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301

Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid (CID 61181719) is 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid is COCC(C)NC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid?
The InChIKey is GBXPIOMBDOKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-7(6-15-3)10-9(14)11(2)5-4-8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid?
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 61181719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).