(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide

C15H21N3O2 — CID 102694962

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
SMILESCOC(C)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(20-2)8-18-15(19)13(16)7-11-9-17-14-6-4-3-5-12(11)14/h3-6,9-10,13,17H,7-8,16H2,1-2H3,(H,18,19)/t10?,13-/m0/s1
InChIKeyIIHPRTXLPAGDKB-HQVZTVAUSA-N
MW275.35 g/mol
LogP1.19
Rot. Bonds6

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide (PubChem CID 102694962) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
PubChem CID102694962
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
SMILESCOC(C)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(20-2)8-18-15(19)13(16)7-11-9-17-14-6-4-3-5-12(11)14/h3-6,9-10,13,17H,7-8,16H2,1-2H3,(H,18,19)/t10?,13-/m0/s1
InChIKeyIIHPRTXLPAGDKB-HQVZTVAUSA-N
XLogP1.19
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 114350915
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride
CID 119957472
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
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide (CID 102694962) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide is COC(C)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide?
The InChIKey is IIHPRTXLPAGDKB-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(20-2)8-18-15(19)13(16)7-11-9-17-14-6-4-3-5-12(11)14/h3-6,9-10,13,17H,7-8,16H2,1-2H3,(H,18,19)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide is sourced from PubChem (CID 102694962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).