(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide

C13H28N2O2 — CID 54999112

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(CCO)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-11(6-2)15(7-8-16)13(17)12(14)9-10(3)4/h10-12,16H,5-9,14H2,1-4H3/t12-/m0/s1
InChIKeyJIWJGZDHKLWAAQ-LBPRGKRZSA-N
MW244.38 g/mol
LogP1.37
Rot. Bonds8

About (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide

(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide (PubChem CID 54999112) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
PubChem CID54999112
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(CCO)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-11(6-2)15(7-8-16)13(17)12(14)9-10(3)4/h10-12,16H,5-9,14H2,1-4H3/t12-/m0/s1
InChIKeyJIWJGZDHKLWAAQ-LBPRGKRZSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide (CID 54999112) is (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide is CCC(CC)N(CCO)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide?
The InChIKey is JIWJGZDHKLWAAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-11(6-2)15(7-8-16)13(17)12(14)9-10(3)4/h10-12,16H,5-9,14H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide is sourced from PubChem (CID 54999112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).