3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate

C15H20N2O3 — CID 104911563

IUPAC3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
SMILESCOCCCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O3/c1-19-7-4-8-20-15(18)13(16)9-11-10-17-14-6-3-2-5-12(11)14/h2-3,5-6,10,13,17H,4,7-9,16H2,1H3/t13-/m0/s1
InChIKeyHOJPCSHHTKISCI-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.62
Rot. Bonds7

About 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate

3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate (PubChem CID 104911563) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
PubChem CID104911563
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
SMILESCOCCCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O3/c1-19-7-4-8-20-15(18)13(16)9-11-10-17-14-6-3-2-5-12(11)14/h2-3,5-6,10,13,17H,4,7-9,16H2,1H3/t13-/m0/s1
InChIKeyHOJPCSHHTKISCI-ZDUSSCGKSA-N
XLogP1.62
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
4-methylpentyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 104911579
4-aminobutyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 139681771
3-methylbutyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 22597671
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
CID 114351164
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817
8-(4-phenylmethoxyphenoxy)octyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 16720427

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate?
The IUPAC name of 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate (CID 104911563) is 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate is COCCCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate?
The InChIKey is HOJPCSHHTKISCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-7-4-8-20-15(18)13(16)9-11-10-17-14-6-3-2-5-12(11)14/h2-3,5-6,10,13,17H,4,7-9,16H2,1H3/t13-/m0/s1.
What are the key properties of 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate?
3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 104911563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).