tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate

C11H23NO3 — CID 89058843

IUPACtert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate
SMILESCC(C)(O)C[C@@H](CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)15-9(13)8(7-12)6-11(4,5)14/h8,14H,6-7,12H2,1-5H3/t8-/m0/s1
InChIKeyTTYWVRPDLZFVPD-QMMMGPOBSA-N
MW217.31 g/mol
LogP1.06
Rot. Bonds4

About tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate

tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate (PubChem CID 89058843) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate
PubChem CID89058843
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate
SMILESCC(C)(O)C[C@@H](CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)15-9(13)8(7-12)6-11(4,5)14/h8,14H,6-7,12H2,1-5H3/t8-/m0/s1
InChIKeyTTYWVRPDLZFVPD-QMMMGPOBSA-N
XLogP1.06
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
tert-butyl 2-(aminomethyl)-4-bromobutanoate
CID 87721894
tert-butyl (2S)-2-(aminomethyl)-3-methylsulfonyloxypropanoate
CID 96842470
tert-butyl 2-(aminomethyl)-5-methyloctanoate
CID 154249144
tert-butyl 2-hydroxy-4,4-dimethylpentanoate
CID 139995556
tert-butyl 7-amino-2-(5-aminopentyl)heptanoate
CID 140652279
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819
tert-butyl 3-amino-2-[[3-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 87968324
tert-butyl 8-methyl-2-(4-methylpentyl)nonanoate
CID 172624569
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
ditert-butyl 2-amino-3-(aminomethyl)butanedioate
CID 154956810

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate?
The IUPAC name of tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate (CID 89058843) is tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate.
What is the SMILES notation for tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate?
The canonical SMILES for tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate is CC(C)(O)C[C@@H](CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate?
The InChIKey is TTYWVRPDLZFVPD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2,3)15-9(13)8(7-12)6-11(4,5)14/h8,14H,6-7,12H2,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate?
tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate is sourced from PubChem (CID 89058843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).