N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide

C15H30N2O2 — CID 54272315

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H](C(N)=O)C(C)C
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-8-9-10-11-13(18)17-14(12(2)3)15(16)19/h12,14H,4-11H2,1-3H3,(H2,16,19)(H,17,18)/t14-/m0/s1
InChIKeyRLAAFKLCXXROTG-AWEZNQCLSA-N
MW270.42 g/mol
LogP2.75
Rot. Bonds11

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide (PubChem CID 54272315) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide
PubChem CID54272315
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H](C(N)=O)C(C)C
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-8-9-10-11-13(18)17-14(12(2)3)15(16)19/h12,14H,4-11H2,1-3H3,(H2,16,19)(H,17,18)/t14-/m0/s1
InChIKeyRLAAFKLCXXROTG-AWEZNQCLSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide (CID 54272315) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide is CCCCCCCCCC(=O)N[C@H](C(N)=O)C(C)C.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide?
The InChIKey is RLAAFKLCXXROTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-6-7-8-9-10-11-13(18)17-14(12(2)3)15(16)19/h12,14H,4-11H2,1-3H3,(H2,16,19)(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide has a molecular weight of 270.42 g/mol, XLogP of 2.75, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]decanamide is sourced from PubChem (CID 54272315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).