3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid

C12H24N2O4 — CID 61428085

IUPAC3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C)C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-12(2,3)14(7-6-10(15)16)11(17)13(4)8-9-18-5/h6-9H2,1-5H3,(H,15,16)
InChIKeyURBYSOUXTAUKSO-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.26
Rot. Bonds6

About 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid

3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 61428085) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID61428085
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C)C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-12(2,3)14(7-6-10(15)16)11(17)13(4)8-9-18-5/h6-9H2,1-5H3,(H,15,16)
InChIKeyURBYSOUXTAUKSO-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 61452624
3-[tert-butyl-[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201739
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
3-[tert-butyl(4-methoxybutan-2-yl)amino]propanoic acid
CID 65058573
3-[tert-butyl-[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 113426183
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
CID 61194347
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 61199602
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
N-(2-methoxyethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62848180

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid (CID 61428085) is 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid is COCCN(C)C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is URBYSOUXTAUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,3)14(7-6-10(15)16)11(17)13(4)8-9-18-5/h6-9H2,1-5H3,(H,15,16).
What are the key properties of 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61428085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).