tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate

C12H20N4O4 — CID 114703660

IUPACtert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1cncn1CC(N)=O
InChIInChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)15-8(6-17)9-4-14-7-16(9)5-10(13)18/h4,7-8,17H,5-6H2,1-3H3,(H2,13,18)(H,15,19)
InChIKeyJTVFNTRPRZIJAW-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.07
Rot. Bonds5

About tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate

tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate (PubChem CID 114703660) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate
PubChem CID114703660
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Nametert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1cncn1CC(N)=O
InChIInChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)15-8(6-17)9-4-14-7-16(9)5-10(13)18/h4,7-8,17H,5-6H2,1-3H3,(H2,13,18)(H,15,19)
InChIKeyJTVFNTRPRZIJAW-UHFFFAOYSA-N
XLogP-0.07
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66135618
tert-butyl N-[1-[3-(3-aminopropyl)imidazol-4-yl]ethyl]carbamate
CID 114704397
tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
CID 114705783
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[(1R)-1-(3-butylimidazol-4-yl)ethyl]carbamate
CID 114986110
tert-butyl N-[(1R)-1-(3-but-3-ynylimidazol-4-yl)propyl]carbamate
CID 114986305
tert-butyl N-[(1R)-1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986245
tert-butyl N-[1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114702803
tert-butyl N-[(1R)-1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114986113
tert-butyl N-[1-[3-(4-methoxybutyl)imidazol-4-yl]ethyl]carbamate
CID 114704717
tert-butyl N-[(1R)-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]propyl]carbamate
CID 104943854
tert-butyl N-[1-(3-prop-2-ynylimidazol-4-yl)ethyl]carbamate
CID 114704246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate (CID 114703660) is tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NC(CO)c1cncn1CC(N)=O.
What is the InChIKey of tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate?
The InChIKey is JTVFNTRPRZIJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)15-8(6-17)9-4-14-7-16(9)5-10(13)18/h4,7-8,17H,5-6H2,1-3H3,(H2,13,18)(H,15,19).
What are the key properties of tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate has a molecular weight of 284.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 114703660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).