(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide

C16H19N3O — CID 104911059

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide
SMILESCC#CCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c1-2-3-6-9-18-16(20)14(17)10-12-11-19-15-8-5-4-7-13(12)15/h4-5,7-8,11,14,19H,6,9-10,17H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyBDIIXXGXJZRSNW-CQSZACIVSA-N
MW269.35 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide

(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide (PubChem CID 104911059) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide
PubChem CID104911059
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide
SMILESCC#CCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c1-2-3-6-9-18-16(20)14(17)10-12-11-19-15-8-5-4-7-13(12)15/h4-5,7-8,11,14,19H,6,9-10,17H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyBDIIXXGXJZRSNW-CQSZACIVSA-N
XLogP1.57
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(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
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
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-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(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-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide (CID 104911059) is (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide is CC#CCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide?
The InChIKey is BDIIXXGXJZRSNW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-6-9-18-16(20)14(17)10-12-11-19-15-8-5-4-7-13(12)15/h4-5,7-8,11,14,19H,6,9-10,17H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide?
(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide is sourced from PubChem (CID 104911059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).