(4S)-4-acetamido-6-methyl-5-oxoheptanamide

C10H18N2O3 — CID 58842024

IUPAC(4S)-4-acetamido-6-methyl-5-oxoheptanamide
SMILESCC(=O)N[C@@H](CCC(N)=O)C(=O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-6(2)10(15)8(12-7(3)13)4-5-9(11)14/h6,8H,4-5H2,1-3H3,(H2,11,14)(H,12,13)/t8-/m0/s1
InChIKeyYWOCRBVXWABGMO-QMMMGPOBSA-N
MW214.26 g/mol
LogP-0.02
Rot. Bonds6

About (4S)-4-acetamido-6-methyl-5-oxoheptanamide

(4S)-4-acetamido-6-methyl-5-oxoheptanamide (PubChem CID 58842024) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4S)-4-acetamido-6-methyl-5-oxoheptanamide.

Molecular Properties

Compound Name(4S)-4-acetamido-6-methyl-5-oxoheptanamide
PubChem CID58842024
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(4S)-4-acetamido-6-methyl-5-oxoheptanamide
SMILESCC(=O)N[C@@H](CCC(N)=O)C(=O)C(C)C
InChIInChI=1S/C10H18N2O3/c1-6(2)10(15)8(12-7(3)13)4-5-9(11)14/h6,8H,4-5H2,1-3H3,(H2,11,14)(H,12,13)/t8-/m0/s1
InChIKeyYWOCRBVXWABGMO-QMMMGPOBSA-N
XLogP-0.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetamido-6-methyl-5-oxoheptanamide?
The IUPAC name of (4S)-4-acetamido-6-methyl-5-oxoheptanamide (CID 58842024) is (4S)-4-acetamido-6-methyl-5-oxoheptanamide.
What is the SMILES notation for (4S)-4-acetamido-6-methyl-5-oxoheptanamide?
The canonical SMILES for (4S)-4-acetamido-6-methyl-5-oxoheptanamide is CC(=O)N[C@@H](CCC(N)=O)C(=O)C(C)C.
What is the InChIKey of (4S)-4-acetamido-6-methyl-5-oxoheptanamide?
The InChIKey is YWOCRBVXWABGMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)10(15)8(12-7(3)13)4-5-9(11)14/h6,8H,4-5H2,1-3H3,(H2,11,14)(H,12,13)/t8-/m0/s1.
What are the key properties of (4S)-4-acetamido-6-methyl-5-oxoheptanamide?
(4S)-4-acetamido-6-methyl-5-oxoheptanamide has a molecular weight of 214.26 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetamido-6-methyl-5-oxoheptanamide is sourced from PubChem (CID 58842024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).