tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate

C10H20N2O4 — CID 144676019

IUPACtert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(5-6-13)8(14)11-4/h7,13H,5-6H2,1-4H3,(H,11,14)(H,12,15)
InChIKeyRYOMSROHNOUVBX-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.01
Rot. Bonds4

About tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate

tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate (PubChem CID 144676019) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
PubChem CID144676019
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(5-6-13)8(14)11-4/h7,13H,5-6H2,1-4H3,(H,11,14)(H,12,15)
InChIKeyRYOMSROHNOUVBX-UHFFFAOYSA-N
XLogP0.01
TPSA87.66 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 ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 169302219
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
tert-butyl N-[(2R)-5-(chloroamino)-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 59806972
(2S)-5-methyl-6-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 157241573
tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 166553850
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
tert-butyl (5S)-7-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoheptanoate
CID 11739040
tert-butyl N-[5-(4-hydroxycyclohexyl)-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 175536770
tert-butyl N-[(2S)-1-[[(2S)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 102247378
tert-butyl N-[3-hydroxy-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]carbamate
CID 22253941
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate (CID 144676019) is tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate is CNC(=O)C(CCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is RYOMSROHNOUVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(5-6-13)8(14)11-4/h7,13H,5-6H2,1-4H3,(H,11,14)(H,12,15).
What are the key properties of tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate?
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 144676019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).