methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate

C16H20FN3O4 — CID 120991876

IUPACmethyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate
SMILESCOCC(N)C(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)OC
InChIInChI=1S/C16H20FN3O4/c1-23-8-12(18)15(21)20-14(16(22)24-2)5-9-7-19-13-6-10(17)3-4-11(9)13/h3-4,6-7,12,14,19H,5,8,18H2,1-2H3,(H,20,21)
InChIKeyFGQWMBCKCDEFEU-UHFFFAOYSA-N
MW337.35 g/mol
LogP0.48
Rot. Bonds7

About methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate

methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate (PubChem CID 120991876) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate
PubChem CID120991876
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Namemethyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate
SMILESCOCC(N)C(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)OC
InChIInChI=1S/C16H20FN3O4/c1-23-8-12(18)15(21)20-14(16(22)24-2)5-9-7-19-13-6-10(17)3-4-11(9)13/h3-4,6-7,12,14,19H,5,8,18H2,1-2H3,(H,20,21)
InChIKeyFGQWMBCKCDEFEU-UHFFFAOYSA-N
XLogP0.48
TPSA106.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[2-(6-fluoro-1H-indol-3-yl)-2-oxoacetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 146146366
methyl 3-(6-fluoro-1H-indol-3-yl)-2-(thiophene-3-carbonylamino)propanoate
CID 75424604
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
(2S)-2-(tert-butylamino)-1-(6-fluoro-1H-indol-3-yl)-4,4-dimethylpentan-3-one
CID 171439337
3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309421
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 94021235
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
methyl (2R)-2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 2562425
(2R)-2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 99781259
(2S)-2-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 99781258
methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(methylamino)propanoyl]amino]propanoate
CID 166966040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate?
The IUPAC name of methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate (CID 120991876) is methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate?
The canonical SMILES for methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate is COCC(N)C(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)OC.
What is the InChIKey of methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate?
The InChIKey is FGQWMBCKCDEFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-23-8-12(18)15(21)20-14(16(22)24-2)5-9-7-19-13-6-10(17)3-4-11(9)13/h3-4,6-7,12,14,19H,5,8,18H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate?
methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate has a molecular weight of 337.35 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate is sourced from PubChem (CID 120991876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).