1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide

C16H19N3O3 — CID 70941046

IUPAC1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O3/c17-15(21)13-6-3-7-19(13)16(22)14(20)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,18,20H,3,6-8H2,(H2,17,21)
InChIKeyUOQJJMYTCZERKD-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.55
Rot. Bonds4

About 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide

1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 70941046) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID70941046
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O3/c17-15(21)13-6-3-7-19(13)16(22)14(20)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,18,20H,3,6-8H2,(H2,17,21)
InChIKeyUOQJJMYTCZERKD-UHFFFAOYSA-N
XLogP0.55
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 145458347
4-amino-2-[[2-[[1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
CID 19947964
1-[4-amino-2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 19942900
2-[[1-[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18746192
2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18232121
1-[5-amino-2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 19944578
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
CID 15980047
1-[2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 18234528
1-[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
CID 19943320
5-amino-2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
CID 19941142
2-[[2-[[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18751081
2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18218872

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide (CID 70941046) is 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)C(O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is UOQJJMYTCZERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-15(21)13-6-3-7-19(13)16(22)14(20)8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,18,20H,3,6-8H2,(H2,17,21).
What are the key properties of 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide?
1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70941046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).