2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

C14H26N2O4 — CID 61438999

IUPAC2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCN(CC1CCCO1)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-5-16(9-10-7-6-8-20-10)13(19)15-11(12(17)18)14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyXHXSATVIPRHUCA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds5

About 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 61438999) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID61438999
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCN(CC1CCCO1)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-5-16(9-10-7-6-8-20-10)13(19)15-11(12(17)18)14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyXHXSATVIPRHUCA-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61439565
(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830657
2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223097
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95972940
(2S)-2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998374
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933399

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (CID 61438999) is 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is CCN(CC1CCCO1)C(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is XHXSATVIPRHUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-16(9-10-7-6-8-20-10)13(19)15-11(12(17)18)14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61438999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).