2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride

C9H19ClFNO2 — CID 164522739

IUPAC2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
SMILESCCC(CC)COC(=O)[C@@H](N)CF.Cl
InChIInChI=1S/C9H18FNO2.ClH/c1-3-7(4-2)6-13-9(12)8(11)5-10;/h7-8H,3-6,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyVYTMPBJRLKRTID-QRPNPIFTSA-N
MW227.71 g/mol
LogP1.68
Rot. Bonds6

About 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride

2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride (PubChem CID 164522739) has the molecular formula C9H19ClFNO2 and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride.

Molecular Properties

Compound Name2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
PubChem CID164522739
Molecular FormulaC9H19ClFNO2
Molecular Weight227.71 g/mol
Exact Mass227.11
IUPAC Name2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
SMILESCCC(CC)COC(=O)[C@@H](N)CF.Cl
InChIInChI=1S/C9H18FNO2.ClH/c1-3-7(4-2)6-13-9(12)8(11)5-10;/h7-8H,3-6,11H2,1-2H3;1H/t8-;/m0./s1
InChIKeyVYTMPBJRLKRTID-QRPNPIFTSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-ethylbutyl) (2S)-2-aminobutanedioate
CID 139467200
2-ethylbutyl 2-methylpropanoate
CID 551315
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylbutyl (2R)-2-amino-3-phenylpropanoate
CID 114208438
bis(2-ethylbutyl) butanedioate
CID 87567542
2-ethylbutyl 2-amino-3-phenylpropanoate;phenol
CID 168915046
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
2-ethylhexyl 2-amino-5-methoxypentanoate
CID 81086073
1-O-ethyl 4-O-(2-ethylbutyl) butanedioate
CID 91702414
(E)-4-(2-ethylbutoxy)-4-oxobut-2-enoic acid
CID 88825906
4-O-(2-ethylbutyl) 1-O-(2-methylpropyl) butanedioate
CID 91701587

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The IUPAC name of 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride (CID 164522739) is 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride.
What is the SMILES notation for 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The canonical SMILES for 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride is CCC(CC)COC(=O)[C@@H](N)CF.Cl.
What is the InChIKey of 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The InChIKey is VYTMPBJRLKRTID-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18FNO2.ClH/c1-3-7(4-2)6-13-9(12)8(11)5-10;/h7-8H,3-6,11H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride has a molecular weight of 227.71 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl (2R)-2-amino-3-fluoropropanoate;hydrochloride is sourced from PubChem (CID 164522739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).