(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide

C16H19N5O — CID 146440140

IUPAC(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
SMILESN[C@H](Cc1cnc[nH]1)C(=O)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H19N5O/c17-14(8-13-9-18-10-20-13)16(22)19-6-5-12-7-11-3-1-2-4-15(11)21-12/h1-4,7,9-10,14,21H,5-6,8,17H2,(H,18,20)(H,19,22)/t14-/m1/s1
InChIKeyVQEYOZLBJIZNCZ-CQSZACIVSA-N
MW297.36 g/mol
LogP1.12
Rot. Bonds6

About (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide

(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide (PubChem CID 146440140) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
PubChem CID146440140
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
SMILESN[C@H](Cc1cnc[nH]1)C(=O)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H19N5O/c17-14(8-13-9-18-10-20-13)16(22)19-6-5-12-7-11-3-1-2-4-15(11)21-12/h1-4,7,9-10,14,21H,5-6,8,17H2,(H,18,20)(H,19,22)/t14-/m1/s1
InChIKeyVQEYOZLBJIZNCZ-CQSZACIVSA-N
XLogP1.12
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 146440123
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 688489
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 156533952
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 18495632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide (CID 146440140) is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide is N[C@H](Cc1cnc[nH]1)C(=O)NCCc1cc2ccccc2[nH]1.
What is the InChIKey of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
The InChIKey is VQEYOZLBJIZNCZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O/c17-14(8-13-9-18-10-20-13)16(22)19-6-5-12-7-11-3-1-2-4-15(11)21-12/h1-4,7,9-10,14,21H,5-6,8,17H2,(H,18,20)(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide?
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide has a molecular weight of 297.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide is sourced from PubChem (CID 146440140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).