(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide

C13H26N2O2 — CID 61164971

IUPAC(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CC)CC1CCOC1
InChIInChI=1S/C13H26N2O2/c1-4-10(3)12(14)13(16)15(5-2)8-11-6-7-17-9-11/h10-12H,4-9,14H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyPBWSJNMFWVQOGC-PRWSFJOGSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds6

About (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide

(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide (PubChem CID 61164971) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide
PubChem CID61164971
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CC)CC1CCOC1
InChIInChI=1S/C13H26N2O2/c1-4-10(3)12(14)13(16)15(5-2)8-11-6-7-17-9-11/h10-12H,4-9,14H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyPBWSJNMFWVQOGC-PRWSFJOGSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide (CID 61164971) is (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)N(CC)CC1CCOC1.
What is the InChIKey of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide?
The InChIKey is PBWSJNMFWVQOGC-PRWSFJOGSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-10(3)12(14)13(16)15(5-2)8-11-6-7-17-9-11/h10-12H,4-9,14H2,1-3H3/t10-,11?,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide?
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide is sourced from PubChem (CID 61164971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).