ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate

C14H17N3O4 — CID 153402560

IUPACethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(CN)NC(=O)c1[nH]c2ccccc2c1O
InChIInChI=1S/C14H17N3O4/c1-2-21-14(20)10(7-15)17-13(19)11-12(18)8-5-3-4-6-9(8)16-11/h3-6,10,16,18H,2,7,15H2,1H3,(H,17,19)
InChIKeyQKNPDQWHZXBWQA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.49
Rot. Bonds5

About ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate

ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate (PubChem CID 153402560) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate
PubChem CID153402560
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(CN)NC(=O)c1[nH]c2ccccc2c1O
InChIInChI=1S/C14H17N3O4/c1-2-21-14(20)10(7-15)17-13(19)11-12(18)8-5-3-4-6-9(8)16-11/h3-6,10,16,18H,2,7,15H2,1H3,(H,17,19)
InChIKeyQKNPDQWHZXBWQA-UHFFFAOYSA-N
XLogP0.49
TPSA117.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]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

ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl (2S)-2-acetamido-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate
CID 165167492
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate
CID 23245119
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate
CID 18098798
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 3674807

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate (CID 153402560) is ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate is CCOC(=O)C(CN)NC(=O)c1[nH]c2ccccc2c1O.
What is the InChIKey of ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate?
The InChIKey is QKNPDQWHZXBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-21-14(20)10(7-15)17-13(19)11-12(18)8-5-3-4-6-9(8)16-11/h3-6,10,16,18H,2,7,15H2,1H3,(H,17,19).
What are the key properties of ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate?
ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate has a molecular weight of 291.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 153402560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).