(4S)-4-(dimethylamino)-5-oxohexanamide

C8H16N2O2 — CID 59048247

IUPAC(4S)-4-(dimethylamino)-5-oxohexanamide
SMILESCC(=O)[C@H](CCC(N)=O)N(C)C
InChIInChI=1S/C8H16N2O2/c1-6(11)7(10(2)3)4-5-8(9)12/h7H,4-5H2,1-3H3,(H2,9,12)/t7-/m0/s1
InChIKeyOEJJZCVPICHLTE-ZETCQYMHSA-N
MW172.23 g/mol
LogP-0.23
Rot. Bonds5

About (4S)-4-(dimethylamino)-5-oxohexanamide

(4S)-4-(dimethylamino)-5-oxohexanamide (PubChem CID 59048247) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-5-oxohexanamide.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-5-oxohexanamide
PubChem CID59048247
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(4S)-4-(dimethylamino)-5-oxohexanamide
SMILESCC(=O)[C@H](CCC(N)=O)N(C)C
InChIInChI=1S/C8H16N2O2/c1-6(11)7(10(2)3)4-5-8(9)12/h7H,4-5H2,1-3H3,(H2,9,12)/t7-/m0/s1
InChIKeyOEJJZCVPICHLTE-ZETCQYMHSA-N
XLogP-0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048229
(3S)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048256
(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
CID 170423984
(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
CID 146233687
5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
CID 87879167
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
(2S)-5-amino-2-(dideuterioamino)-5-oxopentanoic acid
CID 175722488
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2-methylpentanediamide
CID 19688970
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-5-oxohexanamide?
The IUPAC name of (4S)-4-(dimethylamino)-5-oxohexanamide (CID 59048247) is (4S)-4-(dimethylamino)-5-oxohexanamide.
What is the SMILES notation for (4S)-4-(dimethylamino)-5-oxohexanamide?
The canonical SMILES for (4S)-4-(dimethylamino)-5-oxohexanamide is CC(=O)[C@H](CCC(N)=O)N(C)C.
What is the InChIKey of (4S)-4-(dimethylamino)-5-oxohexanamide?
The InChIKey is OEJJZCVPICHLTE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(11)7(10(2)3)4-5-8(9)12/h7H,4-5H2,1-3H3,(H2,9,12)/t7-/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-5-oxohexanamide?
(4S)-4-(dimethylamino)-5-oxohexanamide has a molecular weight of 172.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-5-oxohexanamide is sourced from PubChem (CID 59048247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).