tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate

C11H21NO4 — CID 144773480

IUPACtert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate
SMILESCCC(=O)[C@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-8(14)11(5,7-13)12-9(15)16-10(2,3)4/h13H,6-7H2,1-5H3,(H,12,15)/t11-/m0/s1
InChIKeyTXIHYNZFUFAWQX-NSHDSACASA-N
MW231.29 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate (PubChem CID 144773480) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate
PubChem CID144773480
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate
SMILESCCC(=O)[C@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-8(14)11(5,7-13)12-9(15)16-10(2,3)4/h13H,6-7H2,1-5H3,(H,12,15)/t11-/m0/s1
InChIKeyTXIHYNZFUFAWQX-NSHDSACASA-N
XLogP1.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 148575187
3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 174941723
tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
benzyl (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11833827
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724
tert-butyl N-(4-bromo-1,1,1-trifluoro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701574
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 87242771
tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate
CID 166473368
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 53398095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate (CID 144773480) is tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate is CCC(=O)[C@](C)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate?
The InChIKey is TXIHYNZFUFAWQX-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-8(14)11(5,7-13)12-9(15)16-10(2,3)4/h13H,6-7H2,1-5H3,(H,12,15)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate is sourced from PubChem (CID 144773480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).