(4R)-4-amino-6-methyl-5-oxoheptanoic acid

C8H15NO3 — CID 139478351

IUPAC(4R)-4-amino-6-methyl-5-oxoheptanoic acid
SMILESCC(C)C(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C8H15NO3/c1-5(2)8(12)6(9)3-4-7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyHJWBVDXWAFDXNH-ZCFIWIBFSA-N
MW173.21 g/mol
LogP0.40
Rot. Bonds5

About (4R)-4-amino-6-methyl-5-oxoheptanoic acid

(4R)-4-amino-6-methyl-5-oxoheptanoic acid (PubChem CID 139478351) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4R)-4-amino-6-methyl-5-oxoheptanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-6-methyl-5-oxoheptanoic acid
PubChem CID139478351
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4R)-4-amino-6-methyl-5-oxoheptanoic acid
SMILESCC(C)C(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C8H15NO3/c1-5(2)8(12)6(9)3-4-7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyHJWBVDXWAFDXNH-ZCFIWIBFSA-N
XLogP0.40
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,8-dimethylnonane-3,7-dione
CID 90394699
4,6-diamino-5-oxooctanoic acid
CID 87431132
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
4-aminopentanoic acid;ethane
CID 143436801
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
potassium;2-aminopentanedioic acid;hydride
CID 173070457
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
4-amino-6,6,7-trimethyl-5-oxooctanoic acid
CID 129034412
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-6-methyl-5-oxoheptanoic acid?
The IUPAC name of (4R)-4-amino-6-methyl-5-oxoheptanoic acid (CID 139478351) is (4R)-4-amino-6-methyl-5-oxoheptanoic acid.
What is the SMILES notation for (4R)-4-amino-6-methyl-5-oxoheptanoic acid?
The canonical SMILES for (4R)-4-amino-6-methyl-5-oxoheptanoic acid is CC(C)C(=O)[C@H](N)CCC(=O)O.
What is the InChIKey of (4R)-4-amino-6-methyl-5-oxoheptanoic acid?
The InChIKey is HJWBVDXWAFDXNH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)8(12)6(9)3-4-7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (4R)-4-amino-6-methyl-5-oxoheptanoic acid?
(4R)-4-amino-6-methyl-5-oxoheptanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-6-methyl-5-oxoheptanoic acid is sourced from PubChem (CID 139478351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).