(2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one

C11H19N4O3P — CID 118972067

IUPAC(2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one
SMILESCC(=O)[C@H](Cc1cnc[nH]1)NN[C@H](C(=O)P)[C@@H](C)O
InChIInChI=1S/C11H19N4O3P/c1-6(16)9(3-8-4-12-5-13-8)14-15-10(7(2)17)11(18)19/h4-5,7,9-10,14-15,17H,3,19H2,1-2H3,(H,12,13)/t7-,9+,10+/m1/s1
InChIKeyVRDOKLMLFNJOSU-JEZHCXPESA-N
MW286.27 g/mol
LogP-0.84
Rot. Bonds8

About (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one

(2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one (PubChem CID 118972067) has the molecular formula C11H19N4O3P and a molecular weight of 286.27 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one
PubChem CID118972067
Molecular FormulaC11H19N4O3P
Molecular Weight286.27 g/mol
Exact Mass286.12
IUPAC Name(2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one
SMILESCC(=O)[C@H](Cc1cnc[nH]1)NN[C@H](C(=O)P)[C@@H](C)O
InChIInChI=1S/C11H19N4O3P/c1-6(16)9(3-8-4-12-5-13-8)14-15-10(7(2)17)11(18)19/h4-5,7,9-10,14-15,17H,3,19H2,1-2H3,(H,12,13)/t7-,9+,10+/m1/s1
InChIKeyVRDOKLMLFNJOSU-JEZHCXPESA-N
XLogP-0.84
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(1H-imidazol-5-yl)-3-(iodoamino)butan-2-one
CID 152954292
(2S)-2-[2-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]hydrazinyl]-3-methylbutanoic acid
CID 175768754
N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 21056271
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid
CID 18745273
(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid
CID 145458087
(4R)-4-[[(2R)-2-[[(2R,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-acetamido-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxohexanoic acid
CID 146416703
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
2-[[2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid
CID 18236075
2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18748300
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
CID 177242295
(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
CID 18651854

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one?
The IUPAC name of (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one (CID 118972067) is (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one is CC(=O)[C@H](Cc1cnc[nH]1)NN[C@H](C(=O)P)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one?
The InChIKey is VRDOKLMLFNJOSU-JEZHCXPESA-N. The full InChI is InChI=1S/C11H19N4O3P/c1-6(16)9(3-8-4-12-5-13-8)14-15-10(7(2)17)11(18)19/h4-5,7,9-10,14-15,17H,3,19H2,1-2H3,(H,12,13)/t7-,9+,10+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one?
(2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one has a molecular weight of 286.27 g/mol, XLogP of -0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[2-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]hydrazinyl]-1-phosphanylbutan-1-one is sourced from PubChem (CID 118972067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).