(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide

C13H26N2O2 — CID 103812819

IUPAC(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
SMILESCOC1CC(NC(=O)[C@@H](N)CC(C)C)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-8(2)6-9(14)12(16)15-10-7-11(17-5)13(10,3)4/h8-11H,6-7,14H2,1-5H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyPLIAYSFOUIHNOZ-WHXUTIOJSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide

(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide (PubChem CID 103812819) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
PubChem CID103812819
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
SMILESCOC1CC(NC(=O)[C@@H](N)CC(C)C)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-8(2)6-9(14)12(16)15-10-7-11(17-5)13(10,3)4/h8-11H,6-7,14H2,1-5H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyPLIAYSFOUIHNOZ-WHXUTIOJSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
CID 104940467
(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343152
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669141
(2R)-2-amino-N-(2,2-diethyl-3-methoxycyclobutyl)propanamide
CID 119345408
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide (CID 103812819) is (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide is COC1CC(NC(=O)[C@@H](N)CC(C)C)C1(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide?
The InChIKey is PLIAYSFOUIHNOZ-WHXUTIOJSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-8(2)6-9(14)12(16)15-10-7-11(17-5)13(10,3)4/h8-11H,6-7,14H2,1-5H3,(H,15,16)/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide?
(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methylpentanamide is sourced from PubChem (CID 103812819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).