(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one

C8H18N2O — CID 88569427

IUPAC(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)[C@H](N)CCNC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)10-5-4-8(9)7(3)11/h6,8,10H,4-5,9H2,1-3H3/t8-/m1/s1
InChIKeyUEZBXEHLCPITOD-MRVPVSSYSA-N
MW158.24 g/mol
LogP0.29
Rot. Bonds5

About (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one

(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one (PubChem CID 88569427) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one
PubChem CID88569427
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)[C@H](N)CCNC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)10-5-4-8(9)7(3)11/h6,8,10H,4-5,9H2,1-3H3/t8-/m1/s1
InChIKeyUEZBXEHLCPITOD-MRVPVSSYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461
(3R)-3-amino-5-(ethylamino)pentan-2-one
CID 89122080
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
(2S)-2-amino-N-propan-2-yl-6-(propan-2-ylamino)hexanamide
CID 147186215
(3R)-3-aminoheptane-2,6-dione
CID 154592232
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
methanamine;3-methyl-N-propan-2-ylbutan-1-amine
CID 169260441
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
3-(propan-2-ylamino)propanamide
CID 18768059
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one?
The IUPAC name of (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one (CID 88569427) is (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one is CC(=O)[C@H](N)CCNC(C)C.
What is the InChIKey of (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one?
The InChIKey is UEZBXEHLCPITOD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10-5-4-8(9)7(3)11/h6,8,10H,4-5,9H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-3-amino-5-(propan-2-ylamino)pentan-2-one?
(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one has a molecular weight of 158.24 g/mol, XLogP of 0.29, 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-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 88569427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).