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

C15H19N3O — CID 104910757

IUPAC(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(C(=O)[C@H](N)Cc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C15H19N3O/c1-18(11-6-7-11)15(19)13(16)8-10-9-17-14-5-3-2-4-12(10)14/h2-5,9,11,13,17H,6-8,16H2,1H3/t13-/m1/s1
InChIKeyQCPWQQDAPWJFFX-CYBMUJFWSA-N
MW257.34 g/mol
LogP1.66
Rot. Bonds4

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

(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 104910757) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID104910757
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(C(=O)[C@H](N)Cc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C15H19N3O/c1-18(11-6-7-11)15(19)13(16)8-10-9-17-14-5-3-2-4-12(10)14/h2-5,9,11,13,17H,6-8,16H2,1H3/t13-/m1/s1
InChIKeyQCPWQQDAPWJFFX-CYBMUJFWSA-N
XLogP1.66
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclohexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119955571
(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
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812
(2S)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 46985509
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
CID 175493504
(2S)-2-amino-N-hexyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 58658506
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 76892125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide (CID 104910757) is (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide is CN(C(=O)[C@H](N)Cc1c[nH]c2ccccc12)C1CC1.
What is the InChIKey of (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is QCPWQQDAPWJFFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(11-6-7-11)15(19)13(16)8-10-9-17-14-5-3-2-4-12(10)14/h2-5,9,11,13,17H,6-8,16H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide?
(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 257.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 104910757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).