(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide

C13H16FN3O — CID 119280010

IUPAC(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C13H16FN3O/c1-8(15)13(18)16-5-4-9-7-17-12-6-10(14)2-3-11(9)12/h2-3,6-8,17H,4-5,15H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyKOLXPFBKFGMSLL-MRVPVSSYSA-N
MW249.29 g/mol
LogP1.31
Rot. Bonds4

About (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide

(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide (PubChem CID 119280010) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
PubChem CID119280010
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C13H16FN3O/c1-8(15)13(18)16-5-4-9-7-17-12-6-10(14)2-3-11(9)12/h2-3,6-8,17H,4-5,15H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyKOLXPFBKFGMSLL-MRVPVSSYSA-N
XLogP1.31
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
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
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49408271
propan-2-yl 3-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111888313
3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol
CID 167932224
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide (CID 119280010) is (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide is C[C@@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is KOLXPFBKFGMSLL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(15)13(18)16-5-4-9-7-17-12-6-10(14)2-3-11(9)12/h2-3,6-8,17H,4-5,15H2,1H3,(H,16,18)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide?
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 249.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 119280010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).