4-hydroxy-3-(propan-2-ylamino)butan-2-one

C7H15NO2 — CID 18345341

IUPAC4-hydroxy-3-(propan-2-ylamino)butan-2-one
SMILESCC(=O)C(CO)NC(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)8-7(4-9)6(3)10/h5,7-9H,4H2,1-3H3
InChIKeyHTMHQKZEXHNDPA-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.07
Rot. Bonds4

About 4-hydroxy-3-(propan-2-ylamino)butan-2-one

4-hydroxy-3-(propan-2-ylamino)butan-2-one (PubChem CID 18345341) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-hydroxy-3-(propan-2-ylamino)butan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(propan-2-ylamino)butan-2-one
PubChem CID18345341
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-hydroxy-3-(propan-2-ylamino)butan-2-one
SMILESCC(=O)C(CO)NC(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)8-7(4-9)6(3)10/h5,7-9H,4H2,1-3H3
InChIKeyHTMHQKZEXHNDPA-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-4-hydroxybutan-2-one
CID 13519383
(3S)-4-hydroxy-3-(methylamino)butan-2-one
CID 45085120
(3S)-3-Amino-4-hydroxybutan-2-one
CID 54159721
Ethylthreonine
CID 54262209
Propylserine
CID 55287062
(3S)-4-hydroxy-3-(methylamino)pentan-2-one
CID 59960230
N-carboxymethyl-d,l-threonine
CID 87517714
N-(2-hydroxyethyl)-2-aminodiacetic acid
CID 88750048
Hydroxyeth-ylaminodiacetic acid
CID 88752584
(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride
CID 57086405
(2S)-2-(butylamino)-3-hydroxypropanoyl fluoride
CID 57207146
2-(Butylamino)-3-hydroxypropanoyl fluoride
CID 76412875

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(propan-2-ylamino)butan-2-one?
The IUPAC name of 4-hydroxy-3-(propan-2-ylamino)butan-2-one (CID 18345341) is 4-hydroxy-3-(propan-2-ylamino)butan-2-one.
What is the SMILES notation for 4-hydroxy-3-(propan-2-ylamino)butan-2-one?
The canonical SMILES for 4-hydroxy-3-(propan-2-ylamino)butan-2-one is CC(=O)C(CO)NC(C)C.
What is the InChIKey of 4-hydroxy-3-(propan-2-ylamino)butan-2-one?
The InChIKey is HTMHQKZEXHNDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)8-7(4-9)6(3)10/h5,7-9H,4H2,1-3H3.
What are the key properties of 4-hydroxy-3-(propan-2-ylamino)butan-2-one?
4-hydroxy-3-(propan-2-ylamino)butan-2-one has a molecular weight of 145.20 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(propan-2-ylamino)butan-2-one is sourced from PubChem (CID 18345341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).