(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride

C14H19ClFN3O — CID 119280013

IUPAC(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12.Cl
InChIInChI=1S/C14H18FN3O.ClH/c1-2-12(16)14(19)17-6-5-9-8-18-13-7-10(15)3-4-11(9)13;/h3-4,7-8,12,18H,2,5-6,16H2,1H3,(H,17,19);1H/t12-;/m0./s1
InChIKeyTXGOIEWASAFMLR-YDALLXLXSA-N
MW299.78 g/mol
LogP2.12
Rot. Bonds5

About (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride

(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride (PubChem CID 119280013) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
PubChem CID119280013
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12.Cl
InChIInChI=1S/C14H18FN3O.ClH/c1-2-12(16)14(19)17-6-5-9-8-18-13-7-10(15)3-4-11(9)13;/h3-4,7-8,12,18H,2,5-6,16H2,1H3,(H,17,19);1H/t12-;/m0./s1
InChIKeyTXGOIEWASAFMLR-YDALLXLXSA-N
XLogP2.12
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
ethyl 4-[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164479
N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49408271

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride (CID 119280013) is (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride?
The InChIKey is TXGOIEWASAFMLR-YDALLXLXSA-N. The full InChI is InChI=1S/C14H18FN3O.ClH/c1-2-12(16)14(19)17-6-5-9-8-18-13-7-10(15)3-4-11(9)13;/h3-4,7-8,12,18H,2,5-6,16H2,1H3,(H,17,19);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride has a molecular weight of 299.78 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119280013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).