(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide

C15H21N3O2 — CID 104910912

IUPAC(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)CCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(19)6-7-17-15(20)13(16)8-11-9-18-14-5-3-2-4-12(11)14/h2-5,9-10,13,18-19H,6-8,16H2,1H3,(H,17,20)/t10?,13-/m1/s1
InChIKeyOJTWJYXDOUYDFK-JLOHTSLTSA-N
MW275.35 g/mol
LogP0.92
Rot. Bonds6

About (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide

(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 104910912) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
PubChem CID104910912
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)CCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(19)6-7-17-15(20)13(16)8-11-9-18-14-5-3-2-4-12(11)14/h2-5,9-10,13,18-19H,6-8,16H2,1H3,(H,17,20)/t10?,13-/m1/s1
InChIKeyOJTWJYXDOUYDFK-JLOHTSLTSA-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

2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 114350915
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 111433482
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methylsulfonylethyl)propanamide
CID 61178850

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide (CID 104910912) is (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide is CC(O)CCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is OJTWJYXDOUYDFK-JLOHTSLTSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(19)6-7-17-15(20)13(16)8-11-9-18-14-5-3-2-4-12(11)14/h2-5,9-10,13,18-19H,6-8,16H2,1H3,(H,17,20)/t10?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
(2R)-2-amino-N-(3-hydroxybutyl)-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 (2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 104910912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).