[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium

C13H18N3O+ — CID 6929476

IUPAC[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
SMILESC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+]
InChIInChI=1S/C13H17N3O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7,14H2,1H3,(H,16,17)/p+1/t9-/m0/s1
InChIKeySFTSSVCRTXAUQR-VIFPVBQESA-O
MW232.31 g/mol
LogP0.46
Rot. Bonds4

About [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium

[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium (PubChem CID 6929476) has the molecular formula C13H18N3O+ and a molecular weight of 232.31 g/mol. Its IUPAC name is [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
PubChem CID6929476
Molecular FormulaC13H18N3O+
Molecular Weight232.31 g/mol
Exact Mass232.14
IUPAC Name[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
SMILESC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+]
InChIInChI=1S/C13H17N3O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7,14H2,1H3,(H,16,17)/p+1/t9-/m0/s1
InChIKeySFTSSVCRTXAUQR-VIFPVBQESA-O
XLogP0.46
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
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CID 582689
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
(2R)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 7091278
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
sodium 3-[2-(3-sulfosulfanylpropanoylamino)propyl]-1H-indole
CID 126465875
(E)-4-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]-4-oxobut-2-enoate
CID 6998653
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 42655242
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide
CID 29147453

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium (CID 6929476) is [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium is C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+].
What is the InChIKey of [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium?
The InChIKey is SFTSSVCRTXAUQR-VIFPVBQESA-O. The full InChI is InChI=1S/C13H17N3O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7,14H2,1H3,(H,16,17)/p+1/t9-/m0/s1.
What are the key properties of [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium?
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium has a molecular weight of 232.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 6929476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).