2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide

C13H15N7O — CID 114350844

IUPAC2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
SMILESCn1nnc(NC(=O)C(N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H15N7O/c1-20-18-13(17-19-20)16-12(21)10(14)6-8-7-15-11-5-3-2-4-9(8)11/h2-5,7,10,15H,6,14H2,1H3,(H,16,18,21)
InChIKeyIYXAMUYVUGAHNH-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide

2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide (PubChem CID 114350844) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
PubChem CID114350844
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
SMILESCn1nnc(NC(=O)C(N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H15N7O/c1-20-18-13(17-19-20)16-12(21)10(14)6-8-7-15-11-5-3-2-4-9(8)11/h2-5,7,10,15H,6,14H2,1H3,(H,16,18,21)
InChIKeyIYXAMUYVUGAHNH-UHFFFAOYSA-N
XLogP0.20
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
CID 104919505
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2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 76892447
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzamide
CID 22691575
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
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(2R)-2-amino-3-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 104910728
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide (CID 114350844) is 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide is Cn1nnc(NC(=O)C(N)Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide?
The InChIKey is IYXAMUYVUGAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-20-18-13(17-19-20)16-12(21)10(14)6-8-7-15-11-5-3-2-4-9(8)11/h2-5,7,10,15H,6,14H2,1H3,(H,16,18,21).
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide?
2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide has a molecular weight of 285.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide is sourced from PubChem (CID 114350844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).