tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate

C12H23N3O4 — CID 18699828

IUPACtert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC(=O)C(O)CCN)C1
InChIInChI=1S/C12H23N3O4/c1-12(2,3)19-11(18)15-6-8(7-15)14-10(17)9(16)4-5-13/h8-9,16H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyGGGINXYOPSNSCO-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.57
Rot. Bonds4

About tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate (PubChem CID 18699828) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate
PubChem CID18699828
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nametert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC(=O)C(O)CCN)C1
InChIInChI=1S/C12H23N3O4/c1-12(2,3)19-11(18)15-6-8(7-15)14-10(17)9(16)4-5-13/h8-9,16H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyGGGINXYOPSNSCO-UHFFFAOYSA-N
XLogP-0.57
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate
CID 105491312
tert-butyl 3-[[(2R,3S)-2-methyl-3-methylsulfonylbutanoyl]amino]azetidine-1-carboxylate
CID 100729600
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
CID 107241913
tert-butyl 3-[[2,2-difluoroethyl(methyl)carbamoyl]amino]azetidine-1-carboxylate
CID 126817162
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-(prop-2-ynoxyamino)azetidine-1-carboxylate
CID 131181510
tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
CID 67392129
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
CID 145162230
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
tert-butyl 3-[4-(2-aminoethyl)-2,5-difluoroanilino]azetidine-1-carboxylate
CID 164518041

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate (CID 18699828) is tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NC(=O)C(O)CCN)C1.
What is the InChIKey of tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate?
The InChIKey is GGGINXYOPSNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-12(2,3)19-11(18)15-6-8(7-15)14-10(17)9(16)4-5-13/h8-9,16H,4-7,13H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-amino-2-hydroxybutanoyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 18699828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).