(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid

C15H19N3O4 — CID 15234236

IUPAC(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NCCc1c[nH]c2ccc(O)cc12)C(=O)O
InChIInChI=1S/C15H19N3O4/c16-12(15(21)22)2-4-14(20)17-6-5-9-8-18-13-3-1-10(19)7-11(9)13/h1,3,7-8,12,18-19H,2,4-6,16H2,(H,17,20)(H,21,22)/t12-/m0/s1
InChIKeyNVJULRLNKPOPJA-LBPRGKRZSA-N
MW305.33 g/mol
LogP0.72
Rot. Bonds7

About (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid

(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 15234236) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
PubChem CID15234236
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NCCc1c[nH]c2ccc(O)cc12)C(=O)O
InChIInChI=1S/C15H19N3O4/c16-12(15(21)22)2-4-14(20)17-6-5-9-8-18-13-3-1-10(19)7-11(9)13/h1,3,7-8,12,18-19H,2,4-6,16H2,(H,17,20)(H,21,22)/t12-/m0/s1
InChIKeyNVJULRLNKPOPJA-LBPRGKRZSA-N
XLogP0.72
TPSA128.44 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
CID 160522251
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide
CID 143884091
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
(6Z,9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-6,9,12-trienamide
CID 24749163
(5E,8E,11E,14E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide
CID 14420957
(9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
CID 24749267
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 26651
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioic acid
CID 23619193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid (CID 15234236) is (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid is N[C@@H](CCC(=O)NCCc1c[nH]c2ccc(O)cc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is NVJULRLNKPOPJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-12(15(21)22)2-4-14(20)17-6-5-9-8-18-13-3-1-10(19)7-11(9)13/h1,3,7-8,12,18-19H,2,4-6,16H2,(H,17,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid?
(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 305.33 g/mol, XLogP of 0.72, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 15234236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).