(2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide

C12H16N6O — CID 50995556

IUPAC(2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1
InChIInChI=1S/C12H16N6O/c1-8(14)12(19)17-9-2-5-18(7-9)11-10(6-13)15-3-4-16-11/h3-4,8-9H,2,5,7,14H2,1H3,(H,17,19)/t8-,9-/m0/s1
InChIKeyDBNURWUYEGIHEX-IUCAKERBSA-N
MW260.30 g/mol
LogP-0.61
Rot. Bonds3

About (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide

(2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide (PubChem CID 50995556) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide
PubChem CID50995556
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1
InChIInChI=1S/C12H16N6O/c1-8(14)12(19)17-9-2-5-18(7-9)11-10(6-13)15-3-4-16-11/h3-4,8-9H,2,5,7,14H2,1H3,(H,17,19)/t8-,9-/m0/s1
InChIKeyDBNURWUYEGIHEX-IUCAKERBSA-N
XLogP-0.61
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide (CID 50995556) is (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide is C[C@H](N)C(=O)N[C@H]1CCN(c2nccnc2C#N)C1.
What is the InChIKey of (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is DBNURWUYEGIHEX-IUCAKERBSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(14)12(19)17-9-2-5-18(7-9)11-10(6-13)15-3-4-16-11/h3-4,8-9H,2,5,7,14H2,1H3,(H,17,19)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide?
(2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 260.30 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S)-1-(3-cyanopyrazin-2-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 50995556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).