(2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide

C11H24N2O — CID 10917115

IUPAC(2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)5-6-13-11(14)10(12)7-9(3)4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t10-/m0/s1
InChIKeyHCDLAJHOIWLVLK-JTQLQIEISA-N
MW200.33 g/mol
LogP1.52
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide (PubChem CID 10917115) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide
PubChem CID10917115
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)5-6-13-11(14)10(12)7-9(3)4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t10-/m0/s1
InChIKeyHCDLAJHOIWLVLK-JTQLQIEISA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide (CID 10917115) is (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide is CC(C)CCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide?
The InChIKey is HCDLAJHOIWLVLK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)5-6-13-11(14)10(12)7-9(3)4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide has a molecular weight of 200.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 10917115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).