tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate

C9H18N2O4 — CID 130640432

IUPACtert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](O)CC(N)=O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-6(12)4-7(10)13/h6,12H,4-5H2,1-3H3,(H2,10,13)(H,11,14)/t6-/m0/s1
InChIKeyMTEVIAASBXMKMJ-LURJTMIESA-N
MW218.25 g/mol
LogP-0.25
Rot. Bonds4

About tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate

tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate (PubChem CID 130640432) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
PubChem CID130640432
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nametert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](O)CC(N)=O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-6(12)4-7(10)13/h6,12H,4-5H2,1-3H3,(H2,10,13)(H,11,14)/t6-/m0/s1
InChIKeyMTEVIAASBXMKMJ-LURJTMIESA-N
XLogP-0.25
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate
CID 123805499
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;2-methylprop-2-enoic acid
CID 158486538
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
methyl (2S,5S)-5-hydroxy-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 101344037
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate (CID 130640432) is tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate is CC(C)(C)OC(=O)NC[C@@H](O)CC(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate?
The InChIKey is MTEVIAASBXMKMJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-6(12)4-7(10)13/h6,12H,4-5H2,1-3H3,(H2,10,13)(H,11,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate?
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate has a molecular weight of 218.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate is sourced from PubChem (CID 130640432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).