(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide

C13H26N2O2 — CID 100598355

IUPAC(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide
SMILESCCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)[C@H](C)N
InChIInChI=1S/C13H26N2O2/c1-6-13(7-2)10(8-11(13)17-5)15(4)12(16)9(3)14/h9-11H,6-8,14H2,1-5H3/t9-,10+,11+/m0/s1
InChIKeyPTQYFNJOKSJNHQ-HBNTYKKESA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

About (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide

(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide (PubChem CID 100598355) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide
PubChem CID100598355
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide
SMILESCCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)[C@H](C)N
InChIInChI=1S/C13H26N2O2/c1-6-13(7-2)10(8-11(13)17-5)15(4)12(16)9(3)14/h9-11H,6-8,14H2,1-5H3/t9-,10+,11+/m0/s1
InChIKeyPTQYFNJOKSJNHQ-HBNTYKKESA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide (CID 100598355) is (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide is CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide?
The InChIKey is PTQYFNJOKSJNHQ-HBNTYKKESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-13(7-2)10(8-11(13)17-5)15(4)12(16)9(3)14/h9-11H,6-8,14H2,1-5H3/t9-,10+,11+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide?
(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide is sourced from PubChem (CID 100598355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).