5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide

C11H24N2O3 — CID 107865586

IUPAC5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide
SMILESCCC(CO)(CO)NC(=O)C(C)CCCN
InChIInChI=1S/C11H24N2O3/c1-3-11(7-14,8-15)13-10(16)9(2)5-4-6-12/h9,14-15H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyLWHGDMVSLOHCNU-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.39
Rot. Bonds8

About 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide

5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide (PubChem CID 107865586) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide
PubChem CID107865586
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide
SMILESCCC(CO)(CO)NC(=O)C(C)CCCN
InChIInChI=1S/C11H24N2O3/c1-3-11(7-14,8-15)13-10(16)9(2)5-4-6-12/h9,14-15H,3-8,12H2,1-2H3,(H,13,16)
InChIKeyLWHGDMVSLOHCNU-UHFFFAOYSA-N
XLogP-0.39
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 103891023

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide (CID 107865586) is 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide is CCC(CO)(CO)NC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide?
The InChIKey is LWHGDMVSLOHCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-3-11(7-14,8-15)13-10(16)9(2)5-4-6-12/h9,14-15H,3-8,12H2,1-2H3,(H,13,16).
What are the key properties of 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide?
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide has a molecular weight of 232.32 g/mol, XLogP of -0.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide is sourced from PubChem (CID 107865586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).