(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride

C18H26ClN3O2 — CID 119956782

IUPAC(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOC1CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-16(11-13-12-21-17-8-4-3-7-15(13)17)18(22)20-9-10-23-14-5-1-2-6-14;/h3-4,7-8,12,14,16,21H,1-2,5-6,9-11,19H2,(H,20,22);1H/t16-;/m0./s1
InChIKeyXCSUGOMRBVGNJE-NTISSMGPSA-N
MW351.88 g/mol
LogP2.53
Rot. Bonds7

About (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride

(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (PubChem CID 119956782) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
PubChem CID119956782
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOC1CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-16(11-13-12-21-17-8-4-3-7-15(13)17)18(22)20-9-10-23-14-5-1-2-6-14;/h3-4,7-8,12,14,16,21H,1-2,5-6,9-11,19H2,(H,20,22);1H/t16-;/m0./s1
InChIKeyXCSUGOMRBVGNJE-NTISSMGPSA-N
XLogP2.53
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide
CID 119956783
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
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-methylsulfonylethyl)propanamide
CID 61178850
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119956844
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (CID 119956782) is (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOC1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The InChIKey is XCSUGOMRBVGNJE-NTISSMGPSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-16(11-13-12-21-17-8-4-3-7-15(13)17)18(22)20-9-10-23-14-5-1-2-6-14;/h3-4,7-8,12,14,16,21H,1-2,5-6,9-11,19H2,(H,20,22);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119956782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).