ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride

C8H18ClNO2 — CID 11658447

IUPACethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1
InChIKeyNOUDPBCEONUCOV-FJXQXJEOSA-N
MW195.69 g/mol
LogP1.34
Rot. Bonds4

About ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride

ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride (PubChem CID 11658447) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
PubChem CID11658447
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nameethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1
InChIKeyNOUDPBCEONUCOV-FJXQXJEOSA-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

dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
ethyl (2S)-2-amino-4-methylhexanoate
CID 86635246
ethyl (4S)-4-amino-6-methyl-3-oxoheptanoate;hydrochloride
CID 11550442
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
The IUPAC name of ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride (CID 11658447) is ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride is CCOC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
The InChIKey is NOUDPBCEONUCOV-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1.
What are the key properties of ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride?
ethyl (2S)-2-amino-4-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 (2S)-2-amino-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 11658447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).