2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid

C13H24N2O4 — CID 113364324

IUPAC2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid
SMILESCOC1CC(NC(=O)NC(C(=O)O)C(C)C)C1(C)C
InChIInChI=1S/C13H24N2O4/c1-7(2)10(11(16)17)15-12(18)14-8-6-9(19-5)13(8,3)4/h7-10H,6H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyJFBSYOSETYYCBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.21
Rot. Bonds5

About 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid

2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 113364324) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid
PubChem CID113364324
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid
SMILESCOC1CC(NC(=O)NC(C(=O)O)C(C)C)C1(C)C
InChIInChI=1S/C13H24N2O4/c1-7(2)10(11(16)17)15-12(18)14-8-6-9(19-5)13(8,3)4/h7-10H,6H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyJFBSYOSETYYCBG-UHFFFAOYSA-N
XLogP1.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
CID 103742031
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114118830
4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122005755
N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
CID 130677750
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 130952253
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
CID 103812819
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid (CID 113364324) is 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid is COC1CC(NC(=O)NC(C(=O)O)C(C)C)C1(C)C.
What is the InChIKey of 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is JFBSYOSETYYCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-7(2)10(11(16)17)15-12(18)14-8-6-9(19-5)13(8,3)4/h7-10H,6H2,1-5H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid?
2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 113364324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).