tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate

C10H20N2O4 — CID 143352872

IUPACtert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(O)C(N)=O
InChIInChI=1S/C10H20N2O4/c1-5-6(7(13)8(11)14)12-9(15)16-10(2,3)4/h6-7,13H,5H2,1-4H3,(H2,11,14)(H,12,15)
InChIKeyKGVLPUOWIHWOIY-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.14
Rot. Bonds4

About tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate

tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate (PubChem CID 143352872) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
PubChem CID143352872
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(O)C(N)=O
InChIInChI=1S/C10H20N2O4/c1-5-6(7(13)8(11)14)12-9(15)16-10(2,3)4/h6-7,13H,5H2,1-4H3,(H2,11,14)(H,12,15)
InChIKeyKGVLPUOWIHWOIY-UHFFFAOYSA-N
XLogP0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
(2S,3S)-4-amino-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 13488982
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
ethyl 4,4-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59184562
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344
ethyl (E,5S,6R)-6-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enoate
CID 134841702
tert-butyl N-[(2S,3S)-3-hydroxypentan-2-yl]carbamate;ethane;molecular hydrogen
CID 144591557
tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide
CID 143350674

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate (CID 143352872) is tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate is CCC(NC(=O)OC(C)(C)C)C(O)C(N)=O.
What is the InChIKey of tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate?
The InChIKey is KGVLPUOWIHWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5-6(7(13)8(11)14)12-9(15)16-10(2,3)4/h6-7,13H,5H2,1-4H3,(H2,11,14)(H,12,15).
What are the key properties of tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate?
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate is sourced from PubChem (CID 143352872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).