(3S)-1-amino-3-(3-hydroxyanilino)butan-2-one

C10H14N2O2 — CID 157285684

IUPAC(3S)-1-amino-3-(3-hydroxyanilino)butan-2-one
SMILESC[C@H](Nc1cccc(O)c1)C(=O)CN
InChIInChI=1S/C10H14N2O2/c1-7(10(14)6-11)12-8-3-2-4-9(13)5-8/h2-5,7,12-13H,6,11H2,1H3/t7-/m0/s1
InChIKeyJZZDKFFTXZWGQH-ZETCQYMHSA-N
MW194.23 g/mol
LogP0.72
Rot. Bonds4

About (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one

(3S)-1-amino-3-(3-hydroxyanilino)butan-2-one (PubChem CID 157285684) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one.

Molecular Properties

Compound Name(3S)-1-amino-3-(3-hydroxyanilino)butan-2-one
PubChem CID157285684
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3S)-1-amino-3-(3-hydroxyanilino)butan-2-one
SMILESC[C@H](Nc1cccc(O)c1)C(=O)CN
InChIInChI=1S/C10H14N2O2/c1-7(10(14)6-11)12-8-3-2-4-9(13)5-8/h2-5,7,12-13H,6,11H2,1H3/t7-/m0/s1
InChIKeyJZZDKFFTXZWGQH-ZETCQYMHSA-N
XLogP0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
CID 77230473
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
2-[3-(aminomethyl)anilino]propanoic acid
CID 174745837
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
2-(3-aminoanilino)propanoic acid
CID 23338715
3-(heptan-2-ylamino)phenol
CID 43207062
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
3-(octan-2-ylamino)phenol
CID 43130083
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
2-anilinopropyl 3-hydroxybenzoate
CID 15535543

Frequently Asked Questions

What is the IUPAC name of (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one?
The IUPAC name of (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one (CID 157285684) is (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one.
What is the SMILES notation for (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one?
The canonical SMILES for (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one is C[C@H](Nc1cccc(O)c1)C(=O)CN.
What is the InChIKey of (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one?
The InChIKey is JZZDKFFTXZWGQH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(10(14)6-11)12-8-3-2-4-9(13)5-8/h2-5,7,12-13H,6,11H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one?
(3S)-1-amino-3-(3-hydroxyanilino)butan-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-amino-3-(3-hydroxyanilino)butan-2-one is sourced from PubChem (CID 157285684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).