[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

C16H17N4O+ — CID 7015308

IUPAC[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/p+1/t15-/m0/s1
InChIKeyDKDILZBBFKZMRO-HNNXBMFYSA-O
MW281.34 g/mol
LogP1.35
Rot. Bonds4

About [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 7015308) has the molecular formula C16H17N4O+ and a molecular weight of 281.34 g/mol. Its IUPAC name is [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID7015308
Molecular FormulaC16H17N4O+
Molecular Weight281.34 g/mol
Exact Mass281.14
IUPAC Name[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/p+1/t15-/m0/s1
InChIKeyDKDILZBBFKZMRO-HNNXBMFYSA-O
XLogP1.35
TPSA85.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 688489
(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide
CID 44591545
(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoate
CID 7021872
[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7408075
(2S)-2-amino-N-(3-chlorophenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110837682
[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium
CID 7004201
(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 171395621
3-(1H-imidazol-5-yl)-2-[naphthalen-2-yl(pyrimidin-2-yl)amino]propanoic acid
CID 91177185
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium (CID 7015308) is [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium is [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is DKDILZBBFKZMRO-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/p+1/t15-/m0/s1.
What are the key properties of [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 281.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7015308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).