4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid

C14H25NO4 — CID 107474033

IUPAC4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
SMILESCC1CCOC1C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-9-5-6-19-11(9)12(16)15-8-10(13(17)18)7-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyLRTHEHSLBGRKAF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.66
Rot. Bonds5

About 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid

4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 107474033) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID107474033
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
SMILESCC1CCOC1C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-9-5-6-19-11(9)12(16)15-8-10(13(17)18)7-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyLRTHEHSLBGRKAF-UHFFFAOYSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid
CID 103926983
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
CID 107157668
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
CID 107475538
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961
N-(4-bromobutyl)-3-methyloxolane-2-carboxamide
CID 106845690

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid (CID 107474033) is 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid is CC1CCOC1C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is LRTHEHSLBGRKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9-5-6-19-11(9)12(16)15-8-10(13(17)18)7-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 107474033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).