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

C17H24ClN3O2 — CID 119956844

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCO1
InChIInChI=1S/C17H23N3O2.ClH/c18-15(17(21)20-11-13-5-3-4-8-22-13)9-12-10-19-16-7-2-1-6-14(12)16;/h1-2,6-7,10,13,15,19H,3-5,8-9,11,18H2,(H,20,21);1H/t13?,15-;/m0./s1
InChIKeyACWMLQAEZZMSMZ-LDCKTULKSA-N
MW337.85 g/mol
LogP2.14
Rot. Bonds5

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

(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119956844) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
PubChem CID119956844
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCO1
InChIInChI=1S/C17H23N3O2.ClH/c18-15(17(21)20-11-13-5-3-4-8-22-13)9-12-10-19-16-7-2-1-6-14(12)16;/h1-2,6-7,10,13,15,19H,3-5,8-9,11,18H2,(H,20,21);1H/t13?,15-;/m0./s1
InChIKeyACWMLQAEZZMSMZ-LDCKTULKSA-N
XLogP2.14
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549538
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2S)-2-amino-3-(1H-indol-3-yl)-N-(thiolan-2-ylmethyl)propanamide
CID 80583421
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956782
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide
CID 119956783
(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 103827664
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
(3S)-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 27512416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride (CID 119956844) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride is Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCO1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is ACWMLQAEZZMSMZ-LDCKTULKSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c18-15(17(21)20-11-13-5-3-4-8-22-13)9-12-10-19-16-7-2-1-6-14(12)16;/h1-2,6-7,10,13,15,19H,3-5,8-9,11,18H2,(H,20,21);1H/t13?,15-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119956844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).