(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid

C16H19N3O4 — CID 166310395

IUPAC(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)C(=O)O
InChIInChI=1S/C16H19N3O4/c17-14(20)5-4-13(16(22)23)19-15(21)6-2-10-1-3-12-11(9-10)7-8-18-12/h1,3,7-9,13,18H,2,4-6H2,(H2,17,20)(H,19,21)(H,22,23)/t13-/m1/s1
InChIKeyVPQQRKZTCXVXAH-CYBMUJFWSA-N
MW317.35 g/mol
LogP0.94
Rot. Bonds8

About (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid (PubChem CID 166310395) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid
PubChem CID166310395
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)C(=O)O
InChIInChI=1S/C16H19N3O4/c17-14(20)5-4-13(16(22)23)19-15(21)6-2-10-1-3-12-11(9-10)7-8-18-12/h1,3,7-9,13,18H,2,4-6H2,(H2,17,20)(H,19,21)(H,22,23)/t13-/m1/s1
InChIKeyVPQQRKZTCXVXAH-CYBMUJFWSA-N
XLogP0.94
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 63748597
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
3-[3-(1H-indol-5-yl)propanoylamino]butanoic acid
CID 120522675
5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 43358715
3-(3,4-dimethoxyphenyl)-3-[3-(1H-indol-5-yl)propanoylamino]propanoic acid
CID 120512445
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
2-[[3-(1H-indol-5-yl)propanoylamino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 166228711
CID 68604008
CID 68604008
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 107830087
20-[(4-amino-1-carboxy-4-oxobutyl)amino]-20-oxoicosanoic acid
CID 88943806

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid (CID 166310395) is (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid?
The InChIKey is VPQQRKZTCXVXAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O4/c17-14(20)5-4-13(16(22)23)19-15(21)6-2-10-1-3-12-11(9-10)7-8-18-12/h1,3,7-9,13,18H,2,4-6H2,(H2,17,20)(H,19,21)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid has a molecular weight of 317.35 g/mol, XLogP of 0.94, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 166310395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).