(2S)-3-(tert-butylamino)propane-1,2-diol

C7H17NO2 — CID 2733671

IUPAC(2S)-3-(tert-butylamino)propane-1,2-diol
SMILESCC(C)(C)NC[C@H](O)CO
InChIInChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJWBMVCAZXJMSOX-LURJTMIESA-N
MW147.22 g/mol
LogP-0.27
Rot. Bonds3

About (2S)-3-(tert-butylamino)propane-1,2-diol

(2S)-3-(tert-butylamino)propane-1,2-diol (PubChem CID 2733671) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-3-(tert-butylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(tert-butylamino)propane-1,2-diol
PubChem CID2733671
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-3-(tert-butylamino)propane-1,2-diol
SMILESCC(C)(C)NC[C@H](O)CO
InChIInChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJWBMVCAZXJMSOX-LURJTMIESA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(tert-butylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(tert-butylamino)propane-1,2-diol (CID 2733671) is (2S)-3-(tert-butylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(tert-butylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(tert-butylamino)propane-1,2-diol is CC(C)(C)NC[C@H](O)CO.
What is the InChIKey of (2S)-3-(tert-butylamino)propane-1,2-diol?
The InChIKey is JWBMVCAZXJMSOX-LURJTMIESA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-3-(tert-butylamino)propane-1,2-diol?
(2S)-3-(tert-butylamino)propane-1,2-diol has a molecular weight of 147.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(tert-butylamino)propane-1,2-diol is sourced from PubChem (CID 2733671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).