tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride

C10H22ClNO2 — CID 44828778

IUPACtert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride
SMILESCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C.[Cl-].[H+]
InChIInChI=1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t7-,8-;/m0./s1
InChIKeyIFRYMHOZFAPYPJ-WSZWBAFRSA-N
MW223.74 g/mol
LogP-1.18
Rot. Bonds3

About tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride

tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride (PubChem CID 44828778) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride
PubChem CID44828778
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nametert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride
SMILESCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C.[Cl-].[H+]
InChIInChI=1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t7-,8-;/m0./s1
InChIKeyIFRYMHOZFAPYPJ-WSZWBAFRSA-N
XLogP-1.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride?
The IUPAC name of tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride (CID 44828778) is tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride.
What is the SMILES notation for tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride?
The canonical SMILES for tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride is CC[C@H](C)[C@H](N)C(=O)OC(C)(C)C.[Cl-].[H+].
What is the InChIKey of tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride?
The InChIKey is IFRYMHOZFAPYPJ-WSZWBAFRSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t7-,8-;/m0./s1.
What are the key properties of tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride?
tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride has a molecular weight of 223.74 g/mol, XLogP of -1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydron;chloride is sourced from PubChem (CID 44828778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).