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

C10H22ClNO2 — CID 11687228

IUPACtert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C.Cl
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
LogP2.12
Rot. Bonds3

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

tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride (PubChem CID 11687228) 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;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
PubChem CID11687228
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nametert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C.Cl
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
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Leucine ethyl ester
CID 75971
Leucine methyl ester hydrochloride
CID 2723695
L-Isoleucine, methyl ester
CID 75735
Isoleucine methyl ester hydrochloride
CID 11171351
Methyl 2-amino-3-methylpentanoate
CID 437686
L-Isoleucine, ethyl ester
CID 6602175
Methyl 2-amino-4-methylpentanoate hydrochloride
CID 3084016
Ethyl L-leucinate hydrochloride
CID 158178
tert-butyl (2S)-2-amino-3-methylbutanoate hydrochloride
CID 12490702
tert-Butyl L-valinate
CID 114626
tert-butyl (2S)-2-amino-4-methylpentanoate
CID 7022311
Ethyl DL-leucinate hydrochloride
CID 2769341

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride?
The IUPAC name of tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride (CID 11687228) is tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride is CC[C@H](C)[C@H](N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride?
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;hydrochloride?
tert-butyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 2.12, 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;hydrochloride is sourced from PubChem (CID 11687228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).