(2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol

C9H19NO2 — CID 15932902

IUPAC(2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol
SMILESC=C[C@H](NC(C)(C)C)[C@H](O)CO
InChIInChI=1S/C9H19NO2/c1-5-7(8(12)6-11)10-9(2,3)4/h5,7-8,10-12H,1,6H2,2-4H3/t7-,8+/m0/s1
InChIKeyYGARXGODMSQWIA-JGVFFNPUSA-N
MW173.26 g/mol
LogP0.28
Rot. Bonds4

About (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol

(2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol (PubChem CID 15932902) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol
PubChem CID15932902
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol
SMILESC=C[C@H](NC(C)(C)C)[C@H](O)CO
InChIInChI=1S/C9H19NO2/c1-5-7(8(12)6-11)10-9(2,3)4/h5,7-8,10-12H,1,6H2,2-4H3/t7-,8+/m0/s1
InChIKeyYGARXGODMSQWIA-JGVFFNPUSA-N
XLogP0.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol?
The IUPAC name of (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol (CID 15932902) is (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol.
What is the SMILES notation for (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol?
The canonical SMILES for (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol is C=C[C@H](NC(C)(C)C)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol?
The InChIKey is YGARXGODMSQWIA-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7(8(12)6-11)10-9(2,3)4/h5,7-8,10-12H,1,6H2,2-4H3/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol?
(2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol has a molecular weight of 173.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(tert-butylamino)pent-4-ene-1,2-diol is sourced from PubChem (CID 15932902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).