(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one

C8H17NO2 — CID 157133693

IUPAC(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)[C@H](NC(C)C)[C@@H](C)O
InChIInChI=1S/C8H17NO2/c1-5(2)9-8(6(3)10)7(4)11/h5-6,8-10H,1-4H3/t6-,8-/m1/s1
InChIKeyUBMVEGRUFGWNFJ-HTRCEHHLSA-N
MW159.23 g/mol
LogP0.32
Rot. Bonds4

About (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one

(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one (PubChem CID 157133693) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one
PubChem CID157133693
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)[C@H](NC(C)C)[C@@H](C)O
InChIInChI=1S/C8H17NO2/c1-5(2)9-8(6(3)10)7(4)11/h5-6,8-10H,1-4H3/t6-,8-/m1/s1
InChIKeyUBMVEGRUFGWNFJ-HTRCEHHLSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-hydroxy-3-(methylamino)butan-2-one
CID 45085120
Tertiary-butyl threonine
CID 54191042
(2S,3R)-2-(ethylamino)-3-hydroxybutanoic acid
CID 54262209
(3S)-4-hydroxy-3-(methylamino)pentan-2-one
CID 59960230
2-(Butylamino)-3-hydroxybutanoic acid
CID 17964998
4-Hydroxy-3-(propan-2-ylamino)butan-2-one
CID 18345341
(2S,3R)-3-hydroxy-2-(methylamino)butanal
CID 18644890
4-Ethoxy-3-(methylamino)pentan-2-one
CID 18711587
1-Hydroxy-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 18739773
3-Hydroxy-2-(methylamino)butanal
CID 20063529
2-(Ethylamino)-3-hydroxybutanoic acid
CID 21851052
4-Hydroxy-3-(methylamino)butan-2-one
CID 22981506

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one?
The IUPAC name of (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one (CID 157133693) is (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one is CC(=O)[C@H](NC(C)C)[C@@H](C)O.
What is the InChIKey of (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one?
The InChIKey is UBMVEGRUFGWNFJ-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)9-8(6(3)10)7(4)11/h5-6,8-10H,1-4H3/t6-,8-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one?
(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 157133693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).