2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide

C15H25N5O2 — CID 110134601

IUPAC2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide
SMILESCc1c(CCC(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)cnn1C
InChIInChI=1S/C15H25N5O2/c1-10-11(9-18-19(10)2)3-6-15(22)20-12(7-14(17)21)4-5-13(20)8-16/h9,12-13H,3-8,16H2,1-2H3,(H2,17,21)/t12-,13+/m1/s1
InChIKeyQZBFFDMJYIAVAZ-OLZOCXBDSA-N
MW307.40 g/mol
LogP-0.15
Rot. Bonds6

About 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide

2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide (PubChem CID 110134601) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide
PubChem CID110134601
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide
SMILESCc1c(CCC(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)cnn1C
InChIInChI=1S/C15H25N5O2/c1-10-11(9-18-19(10)2)3-6-15(22)20-12(7-14(17)21)4-5-13(20)8-16/h9,12-13H,3-8,16H2,1-2H3,(H2,17,21)/t12-,13+/m1/s1
InChIKeyQZBFFDMJYIAVAZ-OLZOCXBDSA-N
XLogP-0.15
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide (CID 110134601) is 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide is Cc1c(CCC(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)cnn1C.
What is the InChIKey of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide?
The InChIKey is QZBFFDMJYIAVAZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10-11(9-18-19(10)2)3-6-15(22)20-12(7-14(17)21)4-5-13(20)8-16/h9,12-13H,3-8,16H2,1-2H3,(H2,17,21)/t12-,13+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide?
2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide has a molecular weight of 307.40 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 110134601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).