4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid

C12H24N2O4 — CID 61428193

IUPAC4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCOCCN(C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-10(2)14(7-5-6-11(15)16)12(17)13(3)8-9-18-4/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyYWAJVSZAJQUASX-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.26
Rot. Bonds8

About 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid

4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 61428193) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID61428193
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCOCCN(C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-10(2)14(7-5-6-11(15)16)12(17)13(3)8-9-18-4/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyYWAJVSZAJQUASX-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
CID 54986328
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 106917339
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
4-[(2-amino-5-methoxypentanoyl)-propan-2-ylamino]butanoic acid
CID 81089259
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 55000266
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61201536
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid (CID 61428193) is 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid is COCCN(C)C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is YWAJVSZAJQUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-10(2)14(7-5-6-11(15)16)12(17)13(3)8-9-18-4/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61428193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).