methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate

C19H19N3O3 — CID 22691580

IUPACmethyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-25-19(24)14-7-3-5-9-17(14)22-18(23)15(20)10-12-11-21-16-8-4-2-6-13(12)16/h2-9,11,15,21H,10,20H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyGCVYDSKTFJHUKK-HNNXBMFYSA-N
MW337.38 g/mol
LogP2.46
Rot. Bonds5

About methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate

methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate (PubChem CID 22691580) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate
PubChem CID22691580
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-25-19(24)14-7-3-5-9-17(14)22-18(23)15(20)10-12-11-21-16-8-4-2-6-13(12)16/h2-9,11,15,21H,10,20H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyGCVYDSKTFJHUKK-HNNXBMFYSA-N
XLogP2.46
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate with MolForge

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 22691563
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
CID 102694962
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate (CID 22691580) is methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate?
The InChIKey is GCVYDSKTFJHUKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-19(24)14-7-3-5-9-17(14)22-18(23)15(20)10-12-11-21-16-8-4-2-6-13(12)16/h2-9,11,15,21H,10,20H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate?
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate has a molecular weight of 337.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate is sourced from PubChem (CID 22691580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).