ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride

C13H16ClN2O2- — CID 16637454

IUPACethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
SMILESCCOC(=O)C(N)Cc1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H/p-1
InChIKeyPESYCVVSLYSXAK-UHFFFAOYSA-M
MW267.74 g/mol
LogP-1.40
Rot. Bonds4

About ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride

ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride (PubChem CID 16637454) has the molecular formula C13H16ClN2O2- and a molecular weight of 267.74 g/mol. Its IUPAC name is ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
PubChem CID16637454
Molecular FormulaC13H16ClN2O2-
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Nameethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
SMILESCCOC(=O)C(N)Cc1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H/p-1
InChIKeyPESYCVVSLYSXAK-UHFFFAOYSA-M
XLogP-1.40
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
hexyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 11601701
dodecyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 54155349
octyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 91979300
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
diethylboranyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 99773095
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817
3-methylbutyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 22597671
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] 2-methylpentanoate
CID 155622601
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 10041814
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85288956
3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 104911563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride?
The IUPAC name of ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride (CID 16637454) is ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride.
What is the SMILES notation for ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride?
The canonical SMILES for ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride is CCOC(=O)C(N)Cc1c[nH]c2ccccc12.[Cl-].
What is the InChIKey of ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride?
The InChIKey is PESYCVVSLYSXAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H/p-1.
What are the key properties of ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride?
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride has a molecular weight of 267.74 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride is sourced from PubChem (CID 16637454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).