(2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid

C7H15NO3Si — CID 175812612

IUPAC(2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid
SMILESCCC/C=[SiH]/N[C@@H](CO)C(=O)O
InChIInChI=1S/C7H15NO3Si/c1-2-3-4-12-8-6(5-9)7(10)11/h4,6,8-9,12H,2-3,5H2,1H3,(H,10,11)/b12-4+/t6-/m0/s1
InChIKeyIUEKFSQJIJFVTK-JSTDCQMXSA-N
MW189.29 g/mol
LogP-1.02
Rot. Bonds6

About (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid

(2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid (PubChem CID 175812612) has the molecular formula C7H15NO3Si and a molecular weight of 189.29 g/mol. Its IUPAC name is (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid
PubChem CID175812612
Molecular FormulaC7H15NO3Si
Molecular Weight189.29 g/mol
Exact Mass189.08
IUPAC Name(2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid
SMILESCCC/C=[SiH]/N[C@@H](CO)C(=O)O
InChIInChI=1S/C7H15NO3Si/c1-2-3-4-12-8-6(5-9)7(10)11/h4,6,8-9,12H,2-3,5H2,1H3,(H,10,11)/b12-4+/t6-/m0/s1
InChIKeyIUEKFSQJIJFVTK-JSTDCQMXSA-N
XLogP-1.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.29
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid
CID 21201067
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2R)-3-hydroxy-2-(methoxyamino)propanoic acid
CID 87285376
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
CID 87078659
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
3-hydroxy-2-(pentoxyamino)propanoic acid
CID 154790126
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid (CID 175812612) is (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid is CCC/C=[SiH]/N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid?
The InChIKey is IUEKFSQJIJFVTK-JSTDCQMXSA-N. The full InChI is InChI=1S/C7H15NO3Si/c1-2-3-4-12-8-6(5-9)7(10)11/h4,6,8-9,12H,2-3,5H2,1H3,(H,10,11)/b12-4+/t6-/m0/s1.
What are the key properties of (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid?
(2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid has a molecular weight of 189.29 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butylidenesilylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 175812612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).