(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid

C14H25NO4 — CID 124686163

IUPAC(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESCOC[C@@](C)(CC(=O)O)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H25NO4/c1-12(2)10(13(12,3)4)11(18)15-14(5,8-19-6)7-9(16)17/h10H,7-8H2,1-6H3,(H,15,18)(H,16,17)/t14-/m1/s1
InChIKeyKURXLTTXRDAKQY-CQSZACIVSA-N
MW271.36 g/mol
LogP1.66
Rot. Bonds6

About (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid

(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 124686163) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID124686163
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESCOC[C@@](C)(CC(=O)O)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H25NO4/c1-12(2)10(13(12,3)4)11(18)15-14(5,8-19-6)7-9(16)17/h10H,7-8H2,1-6H3,(H,15,18)(H,16,17)/t14-/m1/s1
InChIKeyKURXLTTXRDAKQY-CQSZACIVSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid with MolForge

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Related Compounds

3-[(4,4-difluorocyclohexanecarbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532395
(3S)-3-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 124684943
3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
CID 115910326
3-[4-(2,2-dimethylpropanoylamino)butanoylamino]-4-methoxy-3-methylbutanoic acid
CID 75445940
4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 120532206
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
4-methoxy-3-methyl-3-(2-phenylbutanoylamino)butanoic acid
CID 120606645
4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120532298
4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid
CID 120532216
4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 120532284
3-[(5-bromopyridine-2-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532186
methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride
CID 119819768

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (CID 124686163) is (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is COC[C@@](C)(CC(=O)O)NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is KURXLTTXRDAKQY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25NO4/c1-12(2)10(13(12,3)4)11(18)15-14(5,8-19-6)7-9(16)17/h10H,7-8H2,1-6H3,(H,15,18)(H,16,17)/t14-/m1/s1.
What are the key properties of (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 124686163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).