2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid

C14H26N2O4 — CID 63706063

IUPAC2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-7-14(2,12(17)18)15-13(19)16(3)10-11-5-8-20-9-6-11/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRBGVPLFTNQZRPS-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid

2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid (PubChem CID 63706063) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
PubChem CID63706063
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-7-14(2,12(17)18)15-13(19)16(3)10-11-5-8-20-9-6-11/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRBGVPLFTNQZRPS-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 79789115
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 114950941
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121
2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301944
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801582
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid (CID 63706063) is 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid is CCCC(C)(NC(=O)N(C)CC1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is RBGVPLFTNQZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-7-14(2,12(17)18)15-13(19)16(3)10-11-5-8-20-9-6-11/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid?
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 63706063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).