(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C15H22N4O3 — CID 119910318

IUPAC(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@H]1C(=O)O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C15H22N4O3/c20-14(10-18-9-3-6-12(18)15(21)22)17-13-7-8-16-19(13)11-4-1-2-5-11/h7-8,11-12H,1-6,9-10H2,(H,17,20)(H,21,22)/t12-/m0/s1
InChIKeyIUMAFJCKFPQEOQ-LBPRGKRZSA-N
MW306.37 g/mol
LogP1.49
Rot. Bonds5

About (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119910318) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119910318
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@H]1C(=O)O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C15H22N4O3/c20-14(10-18-9-3-6-12(18)15(21)22)17-13-7-8-16-19(13)11-4-1-2-5-11/h7-8,11-12H,1-6,9-10H2,(H,17,20)(H,21,22)/t12-/m0/s1
InChIKeyIUMAFJCKFPQEOQ-LBPRGKRZSA-N
XLogP1.49
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
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(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125019309
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
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CID 46613977
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide
CID 128980971
N-(2-cyclohexylpyrazol-3-yl)-2-(2-methylimidazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119910318) is (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCC[C@H]1C(=O)O)Nc1ccnn1C1CCCC1.
What is the InChIKey of (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IUMAFJCKFPQEOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14(10-18-9-3-6-12(18)15(21)22)17-13-7-8-16-19(13)11-4-1-2-5-11/h7-8,11-12H,1-6,9-10H2,(H,17,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119910318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).