(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid

C13H25NO3 — CID 114283260

IUPAC(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
SMILESCC(C)COC1CC(N[C@@H](C)C(=O)O)C1(C)C
InChIInChI=1S/C13H25NO3/c1-8(2)7-17-11-6-10(13(11,4)5)14-9(3)12(15)16/h8-11,14H,6-7H2,1-5H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyJTSUFFNVASGLEF-WHXUTIOJSA-N
MW243.35 g/mol
LogP1.89
Rot. Bonds6

About (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid

(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid (PubChem CID 114283260) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
PubChem CID114283260
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
SMILESCC(C)COC1CC(N[C@@H](C)C(=O)O)C1(C)C
InChIInChI=1S/C13H25NO3/c1-8(2)7-17-11-6-10(13(11,4)5)14-9(3)12(15)16/h8-11,14H,6-7H2,1-5H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyJTSUFFNVASGLEF-WHXUTIOJSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid with MolForge

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Related Compounds

methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
CID 64850189
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 64851351
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-diethylpropanamide
CID 64688946
4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
CID 64852146
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 115641518
N-cyclopropyl-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112696347
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 64851968
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid (CID 114283260) is (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid is CC(C)COC1CC(N[C@@H](C)C(=O)O)C1(C)C.
What is the InChIKey of (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid?
The InChIKey is JTSUFFNVASGLEF-WHXUTIOJSA-N. The full InChI is InChI=1S/C13H25NO3/c1-8(2)7-17-11-6-10(13(11,4)5)14-9(3)12(15)16/h8-11,14H,6-7H2,1-5H3,(H,15,16)/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid?
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid is sourced from PubChem (CID 114283260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).