ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride

C8H18ClNO2 — CID 169227139

IUPACethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
SMILESCCOC(=O)C(N)[C@H](C)CC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6-,7?;/m1./s1
InChIKeyQQGRWNMNWONMOO-JVEOKNEYSA-N
MW195.69 g/mol
LogP1.34
Rot. Bonds4

About ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride

ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride (PubChem CID 169227139) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
PubChem CID169227139
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nameethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
SMILESCCOC(=O)C(N)[C@H](C)CC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6-,7?;/m1./s1
InChIKeyQQGRWNMNWONMOO-JVEOKNEYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
tetradecyl (2S,3R)-2-amino-3-methylpentanoate
CID 6451751
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492
3-methylbutyl (2S)-2-amino-3-methylpentanoate
CID 61279066
ethyl 2,3-dimethylpentanoate
CID 55255239
(2S)-2-amino-3-methylpentanamide
CID 10290817

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride?
The IUPAC name of ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride (CID 169227139) is ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride.
What is the SMILES notation for ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride?
The canonical SMILES for ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride is CCOC(=O)C(N)[C@H](C)CC.Cl.
What is the InChIKey of ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride?
The InChIKey is QQGRWNMNWONMOO-JVEOKNEYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6-,7?;/m1./s1.
What are the key properties of ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride?
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride is sourced from PubChem (CID 169227139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).