tert-butyl 4-amino-2,3-dihydroxybutanoate

C8H17NO4 — CID 57357484

IUPACtert-butyl 4-amino-2,3-dihydroxybutanoate
SMILESCC(C)(C)OC(=O)C(O)C(O)CN
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(12)6(11)5(10)4-9/h5-6,10-11H,4,9H2,1-3H3
InChIKeyIENWMZGPCUQTFO-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.99
Rot. Bonds3

About tert-butyl 4-amino-2,3-dihydroxybutanoate

tert-butyl 4-amino-2,3-dihydroxybutanoate (PubChem CID 57357484) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is tert-butyl 4-amino-2,3-dihydroxybutanoate.

Molecular Properties

Compound Nametert-butyl 4-amino-2,3-dihydroxybutanoate
PubChem CID57357484
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nametert-butyl 4-amino-2,3-dihydroxybutanoate
SMILESCC(C)(C)OC(=O)C(O)C(O)CN
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(12)6(11)5(10)4-9/h5-6,10-11H,4,9H2,1-3H3
InChIKeyIENWMZGPCUQTFO-UHFFFAOYSA-N
XLogP-0.99
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-amino-2,3-dihydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid
CID 55288577
(2R,3R)-4-Amino-2,3-dihydroxybutanoic acid
CID 49867527
tert-butyl (2R)-4-amino-2-hydroxybutanoate
CID 71665008
(2S,3R)-4-amino-2,3-dihydroxybutanoic acid
CID 82667910
tert-butyl (2S)-4-amino-2-hydroxybutanoate
CID 12992643
4-Amino-2,3-dihydroxybutanoic acid
CID 14844430
(2R,3S)-4-amino-2,3-dihydroxybutanoic acid
CID 14844431
Dimethyl 2-(2-aminoethyl)-2-hydroxypropanedioate
CID 19075729
Tert-butyl 4-amino-2-hydroxybutanoate
CID 22707753
4-Amino-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 56923756
Boc-2-(2-aminoethoxyl)ethanol
CID 57365413
Ethyl 4-amino-2,3-dihydroxybutanoate
CID 58181866

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-2,3-dihydroxybutanoate?
The IUPAC name of tert-butyl 4-amino-2,3-dihydroxybutanoate (CID 57357484) is tert-butyl 4-amino-2,3-dihydroxybutanoate.
What is the SMILES notation for tert-butyl 4-amino-2,3-dihydroxybutanoate?
The canonical SMILES for tert-butyl 4-amino-2,3-dihydroxybutanoate is CC(C)(C)OC(=O)C(O)C(O)CN.
What is the InChIKey of tert-butyl 4-amino-2,3-dihydroxybutanoate?
The InChIKey is IENWMZGPCUQTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)6(11)5(10)4-9/h5-6,10-11H,4,9H2,1-3H3.
What are the key properties of tert-butyl 4-amino-2,3-dihydroxybutanoate?
tert-butyl 4-amino-2,3-dihydroxybutanoate has a molecular weight of 191.23 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-2,3-dihydroxybutanoate is sourced from PubChem (CID 57357484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).