2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid

C14H24N2O5 — CID 65301944

IUPAC2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(CC1CCOCC1)C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2,12(18)19)8-11(17)15-13(20)16(3)9-10-4-6-21-7-5-10/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyRRWNBDGODBLBBF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.08
Rot. Bonds5

About 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid

2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 65301944) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID65301944
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(CC1CCOCC1)C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-14(2,12(18)19)8-11(17)15-13(20)16(3)9-10-4-6-21-7-5-10/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20)
InChIKeyRRWNBDGODBLBBF-UHFFFAOYSA-N
XLogP1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 63707561
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066
3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 79789115
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64699572
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 62861745
3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
CID 65267378
4-[[[methyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]benzoic acid
CID 119068665
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid (CID 65301944) is 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid is CN(CC1CCOCC1)C(=O)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is RRWNBDGODBLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,12(18)19)8-11(17)15-13(20)16(3)9-10-4-6-21-7-5-10/h10H,4-9H2,1-3H3,(H,18,19)(H,15,17,20).
What are the key properties of 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 65301944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).