(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide

C14H19N3O2 — CID 104910812

IUPAC(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCO)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3O2/c1-17(6-7-18)14(19)12(15)8-10-9-16-13-5-3-2-4-11(10)13/h2-5,9,12,16,18H,6-8,15H2,1H3/t12-/m1/s1
InChIKeyNDNWBGZPEYCZEP-GFCCVEGCSA-N
MW261.33 g/mol
LogP0.49
Rot. Bonds5

About (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide

(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 104910812) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID104910812
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCO)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3O2/c1-17(6-7-18)14(19)12(15)8-10-9-16-13-5-3-2-4-11(10)13/h2-5,9,12,16,18H,6-8,15H2,1H3/t12-/m1/s1
InChIKeyNDNWBGZPEYCZEP-GFCCVEGCSA-N
XLogP0.49
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-hexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 58658506
2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 76892125
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522
(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119956327
(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910757
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 154902585
(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119955571
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide (CID 104910812) is (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is CN(CCO)C(=O)[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is NDNWBGZPEYCZEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(6-7-18)14(19)12(15)8-10-9-16-13-5-3-2-4-11(10)13/h2-5,9,12,16,18H,6-8,15H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide?
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 261.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 104910812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).