(3R)-3-amino-5-(ethylamino)pentan-2-one

C7H16N2O — CID 89122080

IUPAC(3R)-3-amino-5-(ethylamino)pentan-2-one
SMILESCCNCC[C@@H](N)C(C)=O
InChIInChI=1S/C7H16N2O/c1-3-9-5-4-7(8)6(2)10/h7,9H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyQZTWEBWSIUWTHY-SSDOTTSWSA-N
MW144.22 g/mol
LogP-0.10
Rot. Bonds5

About (3R)-3-amino-5-(ethylamino)pentan-2-one

(3R)-3-amino-5-(ethylamino)pentan-2-one (PubChem CID 89122080) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3R)-3-amino-5-(ethylamino)pentan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-5-(ethylamino)pentan-2-one
PubChem CID89122080
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3R)-3-amino-5-(ethylamino)pentan-2-one
SMILESCCNCC[C@@H](N)C(C)=O
InChIInChI=1S/C7H16N2O/c1-3-9-5-4-7(8)6(2)10/h7,9H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyQZTWEBWSIUWTHY-SSDOTTSWSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
4-amino-6-(ethylamino)hexan-3-one
CID 163948999
(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one
CID 88569427
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
3-aminoheptane-2,6-dione;propane
CID 155584486
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063
3-amino-6-(hydrazinylmethylamino)hexan-2-one
CID 155176532
(3R)-3-aminoheptane-2,6-dione
CID 154592232
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
(3S)-3-amino-6-methylheptan-2-one
CID 88561356

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-(ethylamino)pentan-2-one?
The IUPAC name of (3R)-3-amino-5-(ethylamino)pentan-2-one (CID 89122080) is (3R)-3-amino-5-(ethylamino)pentan-2-one.
What is the SMILES notation for (3R)-3-amino-5-(ethylamino)pentan-2-one?
The canonical SMILES for (3R)-3-amino-5-(ethylamino)pentan-2-one is CCNCC[C@@H](N)C(C)=O.
What is the InChIKey of (3R)-3-amino-5-(ethylamino)pentan-2-one?
The InChIKey is QZTWEBWSIUWTHY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-9-5-4-7(8)6(2)10/h7,9H,3-5,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-3-amino-5-(ethylamino)pentan-2-one?
(3R)-3-amino-5-(ethylamino)pentan-2-one has a molecular weight of 144.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-(ethylamino)pentan-2-one is sourced from PubChem (CID 89122080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).