2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid

C12H24N2O4 — CID 82951996

IUPAC2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N(CCOC)C(C)C
InChIInChI=1S/C12H24N2O4/c1-6-10(11(15)16)13(4)12(17)14(9(2)3)7-8-18-5/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyWSXHJWCHUQKPLO-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.26
Rot. Bonds7

About 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid

2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid (PubChem CID 82951996) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
PubChem CID82951996
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N(CCOC)C(C)C
InChIInChI=1S/C12H24N2O4/c1-6-10(11(15)16)13(4)12(17)14(9(2)3)7-8-18-5/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyWSXHJWCHUQKPLO-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 81058123
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
CID 55127012
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
3-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]propanoic acid
CID 103224638
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
CID 18426364
2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
CID 79865055
4-[2-methoxyethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82948546
2-[methyl-(2-propoxyacetyl)amino]butanoic acid
CID 107937887

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
The IUPAC name of 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid (CID 82951996) is 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)N(CCOC)C(C)C.
What is the InChIKey of 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
The InChIKey is WSXHJWCHUQKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-10(11(15)16)13(4)12(17)14(9(2)3)7-8-18-5/h9-10H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid?
2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 82951996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).