N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide

C10H20N2O2 — CID 138751316

IUPACN-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCC[C@H](N)C=O
InChIInChI=1S/C10H20N2O2/c1-8(2)10(14)12-6-4-3-5-9(11)7-13/h7-9H,3-6,11H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyFJMMBNOMALTWGD-VIFPVBQESA-N
MW200.28 g/mol
LogP0.46
Rot. Bonds7

About N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide

N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide (PubChem CID 138751316) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
PubChem CID138751316
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCC[C@H](N)C=O
InChIInChI=1S/C10H20N2O2/c1-8(2)10(14)12-6-4-3-5-9(11)7-13/h7-9H,3-6,11H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyFJMMBNOMALTWGD-VIFPVBQESA-N
XLogP0.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930
2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
CID 143981855
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(5-amino-7-methyl-6-oxooctyl)-4-(2-methylpropanoylamino)butanamide
CID 177135798
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide
CID 177325899
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-(5-amino-6-oxooctyl)-4-(2-methylpropanoylamino)butanamide
CID 177135756
2-[[(5S)-5-amino-6-oxohexyl]amino]ethyl 2-methylprop-2-enoate
CID 138751380
2-amino-6-(2-methylprop-2-enylamino)hexanal
CID 143925106
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide?
The IUPAC name of N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide (CID 138751316) is N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide?
The canonical SMILES for N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide is CC(C)C(=O)NCCCC[C@H](N)C=O.
What is the InChIKey of N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide?
The InChIKey is FJMMBNOMALTWGD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)10(14)12-6-4-3-5-9(11)7-13/h7-9H,3-6,11H2,1-2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide?
N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide has a molecular weight of 200.28 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide is sourced from PubChem (CID 138751316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).