2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide

C15H21N3O2 — CID 114350867

IUPAC2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(CCO)NC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(6-7-19)18-15(20)13(16)8-11-9-17-14-5-3-2-4-12(11)14/h2-5,9-10,13,17,19H,6-8,16H2,1H3,(H,18,20)
InChIKeyQJCMUZAFLDNSTI-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.92
Rot. Bonds6

About 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide

2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 114350867) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID114350867
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(CCO)NC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(6-7-19)18-15(20)13(16)8-11-9-17-14-5-3-2-4-12(11)14/h2-5,9-10,13,17,19H,6-8,16H2,1H3,(H,18,20)
InChIKeyQJCMUZAFLDNSTI-UHFFFAOYSA-N
XLogP0.92
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-pent-4-yn-2-ylpropanamide
CID 104864210
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 104910967
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 175840689
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119958004
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 119956347
(3S)-3-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 175774210

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide (CID 114350867) is 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide is CC(CCO)NC(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is QJCMUZAFLDNSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(6-7-19)18-15(20)13(16)8-11-9-17-14-5-3-2-4-12(11)14/h2-5,9-10,13,17,19H,6-8,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide?
2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 114350867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).