2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid

C13H24N2O4 — CID 55123659

IUPAC2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCC1CCCO1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-15(13(2,3)11(16)17)12(18)14-8-7-10-6-5-9-19-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPSVAONLBJSUACB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds6

About 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55123659) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID55123659
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCC1CCCO1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-15(13(2,3)11(16)17)12(18)14-8-7-10-6-5-9-19-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPSVAONLBJSUACB-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 65302675
3-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851955
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 54917416
2-carbamothioyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 113270597
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
2-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999
2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
CID 79790302
2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820771
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822227

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid (CID 55123659) is 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NCCC1CCCO1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is PSVAONLBJSUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-15(13(2,3)11(16)17)12(18)14-8-7-10-6-5-9-19-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).