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

C13H28N2O2 — CID 54998676

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CCO)C(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-10(4)12(14)13(17)15(8-9-16)11(6-2)7-3/h10-12,16H,5-9,14H2,1-4H3/t10?,12-/m0/s1
InChIKeyGGXIWUIUXNQTHK-KFJBMODSSA-N
MW244.38 g/mol
LogP1.37
Rot. Bonds8

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

(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide (PubChem CID 54998676) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide
PubChem CID54998676
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CCO)C(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-10(4)12(14)13(17)15(8-9-16)11(6-2)7-3/h10-12,16H,5-9,14H2,1-4H3/t10?,12-/m0/s1
InChIKeyGGXIWUIUXNQTHK-KFJBMODSSA-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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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
CID 79491812
(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
CID 54999112
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide
CID 104861622
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
methyl 2-[[(2S,3S)-2-amino-3-methylpentanoyl]-propan-2-ylamino]acetate
CID 61164140
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide
CID 65269598
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 54993846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide (CID 54998676) is (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide is CCC(C)[C@H](N)C(=O)N(CCO)C(CC)CC.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide?
The InChIKey is GGXIWUIUXNQTHK-KFJBMODSSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-10(4)12(14)13(17)15(8-9-16)11(6-2)7-3/h10-12,16H,5-9,14H2,1-4H3/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpentanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-3-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)-3-methyl-N-pentan-3-ylpentanamide is sourced from PubChem (CID 54998676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).