tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate

C9H20N2O4 — CID 154779852

IUPACtert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N)(CO)CO
InChIInChI=1S/C9H20N2O4/c1-8(2,3)15-7(14)11-4-9(10,5-12)6-13/h12-13H,4-6,10H2,1-3H3,(H,11,14)
InChIKeyQFBHCUJBSRREDZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.81
Rot. Bonds4

About tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate

tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate (PubChem CID 154779852) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
PubChem CID154779852
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Nametert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N)(CO)CO
InChIInChI=1S/C9H20N2O4/c1-8(2,3)15-7(14)11-4-9(10,5-12)6-13/h12-13H,4-6,10H2,1-3H3,(H,11,14)
InChIKeyQFBHCUJBSRREDZ-UHFFFAOYSA-N
XLogP-0.81
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-[4,4-difluoro-2-(hydroxymethyl)-2-methylbutyl]carbamate
CID 130901810
tert-butyl N-(bromomethyl)carbamate
CID 20614913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate (CID 154779852) is tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(N)(CO)CO.
What is the InChIKey of tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate?
The InChIKey is QFBHCUJBSRREDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-8(2,3)15-7(14)11-4-9(10,5-12)6-13/h12-13H,4-6,10H2,1-3H3,(H,11,14).
What are the key properties of tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate?
tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate has a molecular weight of 220.27 g/mol, XLogP of -0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate is sourced from PubChem (CID 154779852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).