(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide

C16H22FN3O — CID 119706151

IUPAC(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H22FN3O/c1-10(2)7-14(18)16(21)19-6-5-11-9-20-15-8-12(17)3-4-13(11)15/h3-4,8-10,14,20H,5-7,18H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyRGQLZDSCJZYSGB-AWEZNQCLSA-N
MW291.37 g/mol
LogP2.34
Rot. Bonds6

About (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide (PubChem CID 119706151) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
PubChem CID119706151
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H22FN3O/c1-10(2)7-14(18)16(21)19-6-5-11-9-20-15-8-12(17)3-4-13(11)15/h3-4,8-10,14,20H,5-7,18H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyRGQLZDSCJZYSGB-AWEZNQCLSA-N
XLogP2.34
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49408271
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
propan-2-yl 3-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111888313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide (CID 119706151) is (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide?
The InChIKey is RGQLZDSCJZYSGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-10(2)7-14(18)16(21)19-6-5-11-9-20-15-8-12(17)3-4-13(11)15/h3-4,8-10,14,20H,5-7,18H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide has a molecular weight of 291.37 g/mol, XLogP of 2.34, 6 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]-4-methylpentanamide is sourced from PubChem (CID 119706151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).