tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate

C12H24N2O5 — CID 21309176

IUPACtert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C[C@H](O)C(=O)NO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O5/c1-8(2)6-14(7-9(15)10(16)13-18)11(17)19-12(3,4)5/h8-9,15,18H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1
InChIKeyZMMKQWWJCQFOPT-VIFPVBQESA-N
MW276.33 g/mol
LogP0.75
Rot. Bonds5

About tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate

tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate (PubChem CID 21309176) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
PubChem CID21309176
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Nametert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C[C@H](O)C(=O)NO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O5/c1-8(2)6-14(7-9(15)10(16)13-18)11(17)19-12(3,4)5/h8-9,15,18H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1
InChIKeyZMMKQWWJCQFOPT-VIFPVBQESA-N
XLogP0.75
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate
CID 10904223
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 59890919
tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
CID 157021829
tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
CID 143525018
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-(cyanomethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate (CID 21309176) is tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate is CC(C)CN(C[C@H](O)C(=O)NO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate?
The InChIKey is ZMMKQWWJCQFOPT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O5/c1-8(2)6-14(7-9(15)10(16)13-18)11(17)19-12(3,4)5/h8-9,15,18H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate?
tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate has a molecular weight of 276.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 21309176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).