(3R)-3-aminoheptane-2,5-dione

C7H13NO2 — CID 157124748

IUPAC(3R)-3-aminoheptane-2,5-dione
SMILESCCC(=O)C[C@@H](N)C(C)=O
InChIInChI=1S/C7H13NO2/c1-3-6(10)4-7(8)5(2)9/h7H,3-4,8H2,1-2H3/t7-/m1/s1
InChIKeyAEGPMTVMOSSSNB-SSDOTTSWSA-N
MW143.19 g/mol
LogP0.27
Rot. Bonds4

About (3R)-3-aminoheptane-2,5-dione

(3R)-3-aminoheptane-2,5-dione (PubChem CID 157124748) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R)-3-aminoheptane-2,5-dione.

Molecular Properties

Compound Name(3R)-3-aminoheptane-2,5-dione
PubChem CID157124748
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R)-3-aminoheptane-2,5-dione
SMILESCCC(=O)C[C@@H](N)C(C)=O
InChIInChI=1S/C7H13NO2/c1-3-6(10)4-7(8)5(2)9/h7H,3-4,8H2,1-2H3/t7-/m1/s1
InChIKeyAEGPMTVMOSSSNB-SSDOTTSWSA-N
XLogP0.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Aminoheptan-2-one
CID 17772784
(3S)-3,7-diaminoheptan-2-one
CID 5288718
3-Aminoheptan-2-one
CID 409945
1-Acetylcadaverine
CID 4477684
Amino-2-heptanone
CID 13153548
3-Aminohexan-2-one
CID 20613280
1-Aminoheptan-3-one
CID 54543281
5-Aminohexan-3-one
CID 59732846
(3S)-3-amino-1-fluoroheptan-2-one
CID 155418085
3-Aminoheptan-4-one
CID 10558651
2-Aminohexan-3-one
CID 12742672
(3S)-3-amino-4-oxohexanamide
CID 18664946

Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminoheptane-2,5-dione?
The IUPAC name of (3R)-3-aminoheptane-2,5-dione (CID 157124748) is (3R)-3-aminoheptane-2,5-dione.
What is the SMILES notation for (3R)-3-aminoheptane-2,5-dione?
The canonical SMILES for (3R)-3-aminoheptane-2,5-dione is CCC(=O)C[C@@H](N)C(C)=O.
What is the InChIKey of (3R)-3-aminoheptane-2,5-dione?
The InChIKey is AEGPMTVMOSSSNB-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6(10)4-7(8)5(2)9/h7H,3-4,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-3-aminoheptane-2,5-dione?
(3R)-3-aminoheptane-2,5-dione has a molecular weight of 143.19 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminoheptane-2,5-dione is sourced from PubChem (CID 157124748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).